USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 TYR OH : rot 180:sc= 0.735 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -146:sc= 0.775 (180deg=-0.31) USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 MET CE :methyl -165:sc= -0.0444 (180deg=-0.352) USER MOD Set 3.1: A 32 GLN : amide:sc= 0.2 K(o=1.3,f=-3.5) USER MOD Set 3.2: A 41 GLN : amide:sc= 1.15 K(o=1.3,f=-1.1) USER MOD Set 3.3: A 117 SER OG : rot -120:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0115 K(o=-0.011,f=-1.4) USER MOD Single : A 42 TYR OH : rot 126:sc= 0.241 USER MOD Single : A 43 ASN : amide:sc= 0.966 K(o=0.97,f=-2.5) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= -0.0035 (180deg=-0.151) USER MOD Single : A 56 GLN : amide:sc= -0.289 K(o=-0.29,f=-0.81) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 1.29 (180deg=0.938) USER MOD Single : A 61 ASN : amide:sc= -0.348 K(o=-0.35,f=-9.2!) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.048) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -93:sc= -2.11! USER MOD Single : A 72 SER OG : rot -112:sc= 0.491 USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.14) USER MOD Single : A 85 SER OG : rot 96:sc= 1.24 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.42) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 91 MET CE :methyl -162:sc= -0.209 (180deg=-0.733) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.378 K(o=0.38,f=-6.2!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 103 THR OG1 : rot 65:sc= 0.553 USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= -0.147 (180deg=-0.659) USER MOD Single : A 106 LYS NZ :NH3+ 147:sc= 0.875 (180deg=0.552) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.134 F(o=-0.69,f=-0.13) USER MOD Single : A 109 MET CE :methyl 168:sc= -3.03! (180deg=-3.65!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.0582 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -7.222 -3.406 10.763 1.00 1.27 N ATOM 31 CA PHE A 28 -6.671 -2.449 9.804 1.00 1.21 C ATOM 32 C PHE A 28 -6.074 -3.158 8.590 1.00 0.94 C ATOM 33 O PHE A 28 -6.226 -4.370 8.429 1.00 0.94 O ATOM 34 CB PHE A 28 -5.629 -1.550 10.478 1.00 1.52 C ATOM 35 CG PHE A 28 -6.214 -0.652 11.527 1.00 1.96 C ATOM 36 CD1 PHE A 28 -6.854 0.525 11.176 1.00 2.75 C ATOM 37 CD2 PHE A 28 -6.117 -0.983 12.867 1.00 2.12 C ATOM 38 CE1 PHE A 28 -7.384 1.355 12.142 1.00 3.75 C ATOM 39 CE2 PHE A 28 -6.646 -0.157 13.840 1.00 2.99 C ATOM 40 CZ PHE A 28 -7.317 1.006 13.463 1.00 3.85 C ATOM 0 HA PHE A 28 -7.489 -1.822 9.450 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -4.859 -2.174 10.931 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -5.139 -0.940 9.719 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -6.939 0.796 10.134 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -5.622 -1.898 13.156 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -7.854 2.284 11.854 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -6.541 -0.410 14.885 1.00 2.99 H new ATOM 0 HZ PHE A 28 -7.783 1.629 14.212 1.00 3.85 H new ATOM 50 N GLY A 29 -5.404 -2.405 7.735 1.00 0.85 N ATOM 51 CA GLY A 29 -4.859 -2.977 6.526 1.00 0.73 C ATOM 52 C GLY A 29 -3.367 -3.189 6.618 1.00 0.63 C ATOM 53 O GLY A 29 -2.630 -2.287 7.021 1.00 0.69 O ATOM 0 H GLY A 29 -5.228 -1.408 7.857 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -5.348 -3.930 6.324 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -5.080 -2.321 5.684 1.00 0.73 H new ATOM 57 N ALA A 30 -2.925 -4.384 6.263 1.00 0.66 N ATOM 58 CA ALA A 30 -1.513 -4.725 6.291 1.00 0.59 C ATOM 59 C ALA A 30 -1.088 -5.283 4.943 1.00 0.56 C ATOM 60 O ALA A 30 -1.399 -6.425 4.606 1.00 0.65 O ATOM 61 CB ALA A 30 -1.234 -5.731 7.398 1.00 0.71 C ATOM 0 H ALA A 30 -3.532 -5.141 5.949 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.935 -3.823 6.494 1.00 0.59 H new ATOM 0 HB1 ALA A 30 -0.172 -5.977 7.407 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -1.515 -5.301 8.359 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.815 -6.636 7.222 1.00 0.71 H new ATOM 67 N ILE A 31 -0.396 -4.467 4.165 1.00 0.49 N ATOM 68 CA ILE A 31 -0.007 -4.843 2.818 1.00 0.53 C ATOM 69 C ILE A 31 1.514 -4.954 2.728 1.00 0.43 C ATOM 70 O ILE A 31 2.232 -4.335 3.511 1.00 0.49 O ATOM 71 CB ILE A 31 -0.433 -3.950 1.921 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.862 -3.471 2.219 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.368 -4.528 0.512 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.923 -4.548 2.089 1.00 0.96 C ATOM 0 H ILE A 31 -0.091 -3.535 4.446 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.467 -5.806 2.596 1.00 0.53 H new ATOM 0 HB ILE A 31 0.232 -3.089 1.990 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -1.893 -3.067 3.231 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -2.107 -2.653 1.542 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.719 -3.784 -0.203 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.661 -4.799 0.277 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.999 -5.415 0.453 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.901 -4.124 2.316 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -2.924 -4.937 1.071 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.707 -5.357 2.786 1.00 0.96 H new ATOM 86 N GLN A 32 2.001 -5.787 1.821 1.00 0.39 N ATOM 87 CA GLN A 32 3.427 -5.902 1.579 1.00 0.34 C ATOM 88 C GLN A 32 3.719 -5.642 0.103 1.00 0.33 C ATOM 89 O GLN A 32 3.425 -6.484 -0.750 1.00 0.36 O ATOM 90 CB GLN A 32 3.923 -7.288 2.006 1.00 0.37 C ATOM 91 CG GLN A 32 5.422 -7.478 1.859 1.00 0.53 C ATOM 92 CD GLN A 32 5.894 -8.817 2.392 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.149 -9.799 2.392 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.137 -8.870 2.840 1.00 0.86 N ATOM 0 H GLN A 32 1.425 -6.395 1.239 1.00 0.39 H new ATOM 0 HA GLN A 32 3.959 -5.158 2.172 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.646 -7.458 3.046 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.411 -8.045 1.412 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.694 -7.393 0.807 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.940 -6.678 2.387 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.721 -8.034 2.823 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.511 -9.747 3.203 1.00 0.86 H new ATOM 103 N LEU A 33 4.255 -4.461 -0.195 1.00 0.38 N ATOM 104 CA LEU A 33 4.545 -4.079 -1.572 1.00 0.41 C ATOM 105 C LEU A 33 6.041 -4.148 -1.834 1.00 0.33 C ATOM 106 O LEU A 33 6.829 -3.811 -0.960 1.00 0.36 O ATOM 107 CB LEU A 33 4.077 -2.647 -1.887 1.00 0.56 C ATOM 108 CG LEU A 33 2.597 -2.327 -1.658 1.00 0.91 C ATOM 109 CD1 LEU A 33 1.711 -3.382 -2.287 1.00 1.24 C ATOM 110 CD2 LEU A 33 2.291 -2.162 -0.180 1.00 1.62 C ATOM 0 H LEU A 33 4.497 -3.753 0.499 1.00 0.38 H new ATOM 0 HA LEU A 33 4.005 -4.779 -2.209 1.00 0.41 H new ATOM 0 HB2 LEU A 33 4.669 -1.958 -1.284 1.00 0.56 H new ATOM 0 HB3 LEU A 33 4.310 -2.438 -2.931 1.00 0.56 H new ATOM 0 HG LEU A 33 2.382 -1.376 -2.146 1.00 0.91 H new ATOM 0 HD11 LEU A 33 0.665 -3.131 -2.110 1.00 1.24 H new ATOM 0 HD12 LEU A 33 1.898 -3.422 -3.360 1.00 1.24 H new ATOM 0 HD13 LEU A 33 1.931 -4.353 -1.844 1.00 1.24 H new ATOM 0 HD21 LEU A 33 1.233 -1.936 -0.051 1.00 1.62 H new ATOM 0 HD22 LEU A 33 2.531 -3.086 0.347 1.00 1.62 H new ATOM 0 HD23 LEU A 33 2.889 -1.346 0.226 1.00 1.62 H new ATOM 122 N ASP A 34 6.438 -4.560 -3.028 1.00 0.33 N ATOM 123 CA ASP A 34 7.854 -4.576 -3.387 1.00 0.34 C ATOM 124 C ASP A 34 8.180 -3.414 -4.322 1.00 0.40 C ATOM 125 O ASP A 34 7.277 -2.754 -4.833 1.00 0.43 O ATOM 126 CB ASP A 34 8.284 -5.920 -3.997 1.00 0.38 C ATOM 127 CG ASP A 34 7.630 -6.240 -5.324 1.00 0.51 C ATOM 128 OD1 ASP A 34 6.906 -7.254 -5.411 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.785 -5.439 -6.268 1.00 1.22 O ATOM 0 H ASP A 34 5.809 -4.886 -3.762 1.00 0.33 H new ATOM 0 HA ASP A 34 8.427 -4.453 -2.468 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.366 -5.916 -4.130 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.053 -6.717 -3.290 1.00 0.38 H new ATOM 134 N GLY A 35 9.474 -3.166 -4.519 1.00 0.47 N ATOM 135 CA GLY A 35 9.943 -1.984 -5.237 1.00 0.57 C ATOM 136 C GLY A 35 9.382 -1.819 -6.643 1.00 0.64 C ATOM 137 O GLY A 35 9.363 -0.704 -7.170 1.00 0.79 O ATOM 0 H GLY A 35 10.222 -3.775 -4.187 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.688 -1.099 -4.654 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.031 -2.023 -5.298 1.00 0.57 H new ATOM 141 N ASP A 36 8.928 -2.908 -7.252 1.00 0.58 N ATOM 142 CA ASP A 36 8.345 -2.846 -8.591 1.00 0.66 C ATOM 143 C ASP A 36 6.934 -2.281 -8.528 1.00 0.61 C ATOM 144 O ASP A 36 6.379 -1.838 -9.536 1.00 0.78 O ATOM 145 CB ASP A 36 8.310 -4.234 -9.242 1.00 0.69 C ATOM 146 CG ASP A 36 9.658 -4.681 -9.760 1.00 1.21 C ATOM 147 OD1 ASP A 36 9.934 -4.495 -10.964 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.463 -5.204 -8.956 1.00 1.56 O ATOM 0 H ASP A 36 8.951 -3.842 -6.844 1.00 0.58 H new ATOM 0 HA ASP A 36 8.972 -2.191 -9.197 1.00 0.66 H new ATOM 0 HB2 ASP A 36 7.948 -4.961 -8.515 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.596 -4.224 -10.066 1.00 0.69 H new ATOM 153 N GLY A 37 6.370 -2.287 -7.332 1.00 0.51 N ATOM 154 CA GLY A 37 5.004 -1.859 -7.143 1.00 0.53 C ATOM 155 C GLY A 37 4.078 -3.041 -6.991 1.00 0.47 C ATOM 156 O GLY A 37 2.859 -2.892 -6.966 1.00 0.53 O ATOM 0 H GLY A 37 6.842 -2.585 -6.479 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.938 -1.226 -6.258 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.689 -1.254 -7.993 1.00 0.53 H new ATOM 160 N ASN A 38 4.665 -4.222 -6.871 1.00 0.40 N ATOM 161 CA ASN A 38 3.895 -5.453 -6.814 1.00 0.39 C ATOM 162 C ASN A 38 3.495 -5.790 -5.392 1.00 0.34 C ATOM 163 O ASN A 38 4.222 -5.499 -4.441 1.00 0.40 O ATOM 164 CB ASN A 38 4.678 -6.623 -7.412 1.00 0.44 C ATOM 165 CG ASN A 38 4.830 -6.515 -8.918 1.00 0.70 C ATOM 166 OD1 ASN A 38 3.991 -5.929 -9.603 1.00 1.30 O ATOM 167 ND2 ASN A 38 5.894 -7.094 -9.446 1.00 1.24 N ATOM 0 H ASN A 38 5.675 -4.353 -6.811 1.00 0.40 H new ATOM 0 HA ASN A 38 2.993 -5.290 -7.404 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.666 -6.667 -6.953 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.172 -7.557 -7.168 1.00 0.44 H new ATOM 0 HD21 ASN A 38 6.043 -7.065 -10.455 1.00 1.24 H new ATOM 0 HD22 ASN A 38 6.567 -7.570 -8.845 1.00 1.24 H new ATOM 174 N ILE A 39 2.326 -6.389 -5.256 1.00 0.32 N ATOM 175 CA ILE A 39 1.831 -6.814 -3.966 1.00 0.32 C ATOM 176 C ILE A 39 2.165 -8.278 -3.729 1.00 0.36 C ATOM 177 O ILE A 39 2.279 -9.060 -4.679 1.00 0.41 O ATOM 178 CB ILE A 39 0.516 -6.671 -3.871 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.059 -5.353 -4.486 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.081 -6.749 -2.415 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.442 -5.224 -4.609 1.00 0.89 C ATOM 0 H ILE A 39 1.698 -6.592 -6.034 1.00 0.32 H new ATOM 0 HA ILE A 39 2.313 -6.184 -3.219 1.00 0.32 H new ATOM 0 HB ILE A 39 0.048 -7.484 -4.426 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.436 -4.530 -3.879 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.505 -5.251 -5.475 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.001 -6.630 -2.352 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.364 -7.717 -2.002 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.567 -5.956 -1.847 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.689 -4.261 -5.055 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.825 -6.025 -5.241 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.895 -5.293 -3.620 1.00 0.89 H new ATOM 193 N LEU A 40 2.384 -8.627 -2.473 1.00 0.40 N ATOM 194 CA LEU A 40 2.523 -10.014 -2.083 1.00 0.49 C ATOM 195 C LEU A 40 1.284 -10.461 -1.323 1.00 0.56 C ATOM 196 O LEU A 40 0.373 -11.057 -1.892 1.00 0.73 O ATOM 197 CB LEU A 40 3.765 -10.209 -1.212 1.00 0.55 C ATOM 198 CG LEU A 40 5.096 -9.888 -1.898 1.00 0.59 C ATOM 199 CD1 LEU A 40 6.259 -10.161 -0.960 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.245 -10.697 -3.179 1.00 1.45 C ATOM 0 H LEU A 40 2.469 -7.962 -1.704 1.00 0.40 H new ATOM 0 HA LEU A 40 2.634 -10.618 -2.983 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.670 -9.582 -0.326 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.791 -11.243 -0.869 1.00 0.55 H new ATOM 0 HG LEU A 40 5.102 -8.829 -2.156 1.00 0.59 H new ATOM 0 HD11 LEU A 40 7.196 -9.927 -1.465 1.00 1.39 H new ATOM 0 HD12 LEU A 40 6.162 -9.540 -0.069 1.00 1.39 H new ATOM 0 HD13 LEU A 40 6.255 -11.212 -0.672 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.197 -10.456 -3.653 1.00 1.45 H new ATOM 0 HD22 LEU A 40 5.216 -11.761 -2.943 1.00 1.45 H new ATOM 0 HD23 LEU A 40 4.429 -10.454 -3.860 1.00 1.45 H new ATOM 212 N GLN A 41 1.234 -10.129 -0.044 1.00 0.59 N ATOM 213 CA GLN A 41 0.142 -10.562 0.805 1.00 0.73 C ATOM 214 C GLN A 41 -0.662 -9.378 1.332 1.00 0.61 C ATOM 215 O GLN A 41 -0.105 -8.345 1.715 1.00 0.60 O ATOM 216 CB GLN A 41 0.675 -11.415 1.960 1.00 0.99 C ATOM 217 CG GLN A 41 1.838 -10.787 2.714 1.00 0.88 C ATOM 218 CD GLN A 41 2.439 -11.725 3.744 1.00 1.20 C ATOM 219 OE1 GLN A 41 1.747 -12.559 4.330 1.00 1.99 O ATOM 220 NE2 GLN A 41 3.740 -11.611 3.953 1.00 1.30 N ATOM 0 H GLN A 41 1.938 -9.561 0.427 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.532 -11.170 0.202 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -0.137 -11.606 2.661 1.00 0.99 H new ATOM 0 HB3 GLN A 41 0.991 -12.382 1.567 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.610 -10.491 2.003 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.496 -9.879 3.210 1.00 0.88 H new ATOM 0 HE21 GLN A 41 4.278 -10.907 3.447 1.00 1.30 H new ATOM 0 HE22 GLN A 41 4.205 -12.227 4.620 1.00 1.30 H new ATOM 229 N TYR A 42 -1.976 -9.539 1.302 1.00 0.68 N ATOM 230 CA TYR A 42 -2.903 -8.560 1.853 1.00 0.69 C ATOM 231 C TYR A 42 -3.346 -8.968 3.251 1.00 0.78 C ATOM 232 O TYR A 42 -2.885 -9.974 3.799 1.00 1.25 O ATOM 233 CB TYR A 42 -4.152 -8.461 0.976 1.00 0.78 C ATOM 234 CG TYR A 42 -4.127 -7.389 -0.084 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.319 -6.918 -0.609 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.940 -6.843 -0.553 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.339 -5.933 -1.570 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.953 -5.854 -1.520 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.155 -5.404 -2.024 1.00 0.63 C ATOM 240 OH TYR A 42 -4.170 -4.422 -2.984 1.00 0.71 O ATOM 0 H TYR A 42 -2.432 -10.355 0.894 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.387 -7.601 1.890 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.308 -9.424 0.489 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -5.013 -8.287 1.621 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.252 -7.332 -0.257 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -1.997 -7.194 -0.159 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.280 -5.578 -1.965 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.024 -5.436 -1.879 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.655 -3.650 -2.670 1.00 0.71 H new ATOM 250 N ASN A 43 -4.263 -8.188 3.806 1.00 0.89 N ATOM 251 CA ASN A 43 -4.919 -8.539 5.050 1.00 0.95 C ATOM 252 C ASN A 43 -6.417 -8.674 4.790 1.00 1.08 C ATOM 253 O ASN A 43 -6.919 -8.173 3.782 1.00 1.63 O ATOM 254 CB ASN A 43 -4.653 -7.479 6.124 1.00 0.96 C ATOM 255 CG ASN A 43 -5.088 -7.932 7.506 1.00 1.38 C ATOM 256 OD1 ASN A 43 -5.081 -9.124 7.813 1.00 2.13 O ATOM 257 ND2 ASN A 43 -5.481 -6.992 8.348 1.00 1.66 N ATOM 0 H ASN A 43 -4.569 -7.301 3.407 1.00 0.89 H new ATOM 0 HA ASN A 43 -4.521 -9.485 5.417 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -3.589 -7.242 6.141 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -5.180 -6.561 5.863 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -5.791 -7.245 9.286 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -5.474 -6.014 8.060 1.00 1.66 H new ATOM 264 N ALA A 44 -7.124 -9.349 5.691 1.00 1.12 N ATOM 265 CA ALA A 44 -8.555 -9.608 5.524 1.00 1.23 C ATOM 266 C ALA A 44 -9.373 -8.320 5.393 1.00 1.22 C ATOM 267 O ALA A 44 -10.470 -8.331 4.833 1.00 1.39 O ATOM 268 CB ALA A 44 -9.072 -10.438 6.686 1.00 1.48 C ATOM 0 H ALA A 44 -6.728 -9.730 6.551 1.00 1.12 H new ATOM 0 HA ALA A 44 -8.676 -10.161 4.593 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -10.137 -10.626 6.553 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -8.538 -11.387 6.721 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -8.912 -9.897 7.619 1.00 1.48 H new ATOM 274 N ALA A 45 -8.835 -7.216 5.905 1.00 1.21 N ATOM 275 CA ALA A 45 -9.520 -5.926 5.855 1.00 1.34 C ATOM 276 C ALA A 45 -9.785 -5.501 4.414 1.00 1.26 C ATOM 277 O ALA A 45 -10.888 -5.065 4.076 1.00 1.38 O ATOM 278 CB ALA A 45 -8.701 -4.864 6.571 1.00 1.52 C ATOM 0 H ALA A 45 -7.923 -7.189 6.361 1.00 1.21 H new ATOM 0 HA ALA A 45 -10.479 -6.035 6.361 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -9.224 -3.909 6.525 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -8.563 -5.152 7.613 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -7.728 -4.768 6.089 1.00 1.52 H new ATOM 284 N GLU A 46 -8.775 -5.655 3.565 1.00 1.18 N ATOM 285 CA GLU A 46 -8.885 -5.292 2.157 1.00 1.23 C ATOM 286 C GLU A 46 -9.925 -6.146 1.446 1.00 1.20 C ATOM 287 O GLU A 46 -10.522 -5.720 0.459 1.00 1.42 O ATOM 288 CB GLU A 46 -7.532 -5.443 1.459 1.00 1.27 C ATOM 289 CG GLU A 46 -6.627 -4.228 1.586 1.00 1.10 C ATOM 290 CD GLU A 46 -6.493 -3.728 3.010 1.00 1.31 C ATOM 291 OE1 GLU A 46 -5.928 -4.454 3.862 1.00 2.12 O ATOM 292 OE2 GLU A 46 -7.017 -2.420 3.375 1.00 1.31 O ATOM 0 H GLU A 46 -7.865 -6.031 3.830 1.00 1.18 H new ATOM 0 HA GLU A 46 -9.202 -4.250 2.109 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -7.017 -6.310 1.872 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -7.702 -5.647 0.402 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -5.638 -4.478 1.201 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -7.018 -3.425 0.961 1.00 1.10 H new ATOM 300 N GLY A 47 -10.142 -7.349 1.947 1.00 1.08 N ATOM 301 CA GLY A 47 -11.112 -8.233 1.341 1.00 1.18 C ATOM 302 C GLY A 47 -12.502 -8.041 1.902 1.00 1.25 C ATOM 303 O GLY A 47 -13.478 -8.516 1.325 1.00 1.42 O ATOM 0 H GLY A 47 -9.664 -7.730 2.763 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -11.132 -8.062 0.265 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.802 -9.267 1.494 1.00 1.18 H new ATOM 307 N ASP A 48 -12.600 -7.339 3.021 1.00 1.26 N ATOM 308 CA ASP A 48 -13.894 -7.069 3.627 1.00 1.49 C ATOM 309 C ASP A 48 -14.422 -5.716 3.177 1.00 1.53 C ATOM 310 O ASP A 48 -15.527 -5.615 2.649 1.00 1.74 O ATOM 311 CB ASP A 48 -13.807 -7.116 5.152 1.00 1.72 C ATOM 312 CG ASP A 48 -15.154 -6.884 5.808 1.00 2.01 C ATOM 313 OD1 ASP A 48 -15.344 -5.819 6.426 1.00 2.28 O ATOM 314 OD2 ASP A 48 -16.032 -7.767 5.704 1.00 2.35 O ATOM 0 H ASP A 48 -11.804 -6.948 3.525 1.00 1.26 H new ATOM 0 HA ASP A 48 -14.585 -7.845 3.298 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -13.415 -8.085 5.463 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -13.101 -6.361 5.498 1.00 1.72 H new ATOM 319 N ILE A 49 -13.616 -4.682 3.373 1.00 1.50 N ATOM 320 CA ILE A 49 -14.001 -3.334 2.986 1.00 1.74 C ATOM 321 C ILE A 49 -14.018 -3.209 1.465 1.00 1.73 C ATOM 322 O ILE A 49 -15.056 -2.928 0.861 1.00 2.08 O ATOM 323 CB ILE A 49 -13.165 -2.434 3.488 1.00 1.98 C ATOM 324 CG1 ILE A 49 -12.986 -2.608 4.993 1.00 2.10 C ATOM 325 CG2 ILE A 49 -13.635 -1.016 3.165 1.00 2.43 C ATOM 326 CD1 ILE A 49 -14.270 -2.492 5.794 1.00 2.59 C ATOM 0 H ILE A 49 -12.691 -4.752 3.798 1.00 1.50 H new ATOM 0 HA ILE A 49 -14.998 -3.146 3.384 1.00 1.74 H new ATOM 0 HB ILE A 49 -12.195 -2.594 3.018 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -12.540 -3.584 5.183 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -12.279 -1.860 5.352 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -12.934 -0.295 3.587 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -13.683 -0.886 2.084 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -14.624 -0.854 3.594 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -14.052 -2.628 6.853 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -14.708 -1.506 5.638 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -14.973 -3.258 5.467 1.00 2.59 H new ATOM 338 N THR A 50 -12.865 -3.437 0.853 1.00 1.71 N ATOM 339 CA THR A 50 -12.720 -3.313 -0.586 1.00 1.95 C ATOM 340 C THR A 50 -13.278 -4.538 -1.312 1.00 1.90 C ATOM 341 O THR A 50 -14.151 -4.418 -2.171 1.00 2.37 O ATOM 342 CB THR A 50 -11.450 -3.147 -0.902 1.00 2.44 C ATOM 343 OG1 THR A 50 -10.844 -2.241 0.034 1.00 3.41 O ATOM 344 CG2 THR A 50 -11.297 -2.603 -2.313 1.00 2.45 C ATOM 0 H THR A 50 -12.010 -3.711 1.338 1.00 1.71 H new ATOM 0 HA THR A 50 -13.291 -2.441 -0.904 1.00 1.95 H new ATOM 0 HB THR A 50 -10.955 -4.117 -0.860 1.00 2.44 H new ATOM 0 HG1 THR A 50 -9.900 -2.116 -0.196 1.00 3.41 H new ATOM 0 HG21 THR A 50 -10.239 -2.478 -2.542 1.00 2.45 H new ATOM 0 HG22 THR A 50 -11.742 -3.301 -3.022 1.00 2.45 H new ATOM 0 HG23 THR A 50 -11.801 -1.639 -2.388 1.00 2.45 H new ATOM 352 N GLY A 51 -12.798 -5.714 -0.940 1.00 1.87 N ATOM 353 CA GLY A 51 -13.249 -6.935 -1.580 1.00 2.32 C ATOM 354 C GLY A 51 -12.120 -7.661 -2.276 1.00 1.77 C ATOM 355 O GLY A 51 -12.347 -8.567 -3.076 1.00 2.08 O ATOM 0 H GLY A 51 -12.103 -5.847 -0.205 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -13.696 -7.591 -0.834 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -14.028 -6.698 -2.304 1.00 2.32 H new ATOM 359 N ARG A 52 -10.895 -7.262 -1.967 1.00 1.46 N ATOM 360 CA ARG A 52 -9.721 -7.860 -2.578 1.00 1.09 C ATOM 361 C ARG A 52 -9.137 -8.919 -1.656 1.00 1.03 C ATOM 362 O ARG A 52 -8.602 -8.595 -0.596 1.00 1.29 O ATOM 363 CB ARG A 52 -8.668 -6.787 -2.861 1.00 1.22 C ATOM 364 CG ARG A 52 -9.190 -5.613 -3.668 1.00 1.55 C ATOM 365 CD ARG A 52 -9.586 -6.028 -5.076 1.00 1.67 C ATOM 366 NE ARG A 52 -10.028 -4.885 -5.871 1.00 1.96 N ATOM 367 CZ ARG A 52 -9.831 -4.768 -7.184 1.00 2.47 C ATOM 368 NH1 ARG A 52 -9.215 -5.730 -7.861 1.00 2.72 N ATOM 369 NH2 ARG A 52 -10.256 -3.684 -7.817 1.00 3.14 N ATOM 0 H ARG A 52 -10.690 -6.524 -1.294 1.00 1.46 H new ATOM 0 HA ARG A 52 -10.016 -8.326 -3.518 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -8.275 -6.418 -1.914 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.835 -7.242 -3.396 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -10.051 -5.178 -3.161 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -8.425 -4.838 -3.719 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -8.738 -6.507 -5.566 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -10.385 -6.768 -5.026 1.00 1.67 H new ATOM 0 HE ARG A 52 -10.518 -4.130 -5.392 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -8.889 -6.566 -7.376 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -9.068 -5.633 -8.866 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -10.731 -2.945 -7.299 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -10.108 -3.589 -8.822 1.00 3.14 H new ATOM 383 N ASP A 53 -9.261 -10.178 -2.052 1.00 0.94 N ATOM 384 CA ASP A 53 -8.767 -11.286 -1.244 1.00 1.00 C ATOM 385 C ASP A 53 -7.253 -11.212 -1.095 1.00 0.89 C ATOM 386 O ASP A 53 -6.544 -10.833 -2.029 1.00 0.82 O ATOM 387 CB ASP A 53 -9.182 -12.627 -1.850 1.00 1.18 C ATOM 388 CG ASP A 53 -10.681 -12.846 -1.784 1.00 1.55 C ATOM 389 OD1 ASP A 53 -11.178 -13.297 -0.732 1.00 1.90 O ATOM 390 OD2 ASP A 53 -11.372 -12.565 -2.784 1.00 2.10 O ATOM 0 H ASP A 53 -9.700 -10.459 -2.929 1.00 0.94 H new ATOM 0 HA ASP A 53 -9.213 -11.207 -0.253 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.856 -12.671 -2.889 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -8.675 -13.435 -1.322 1.00 1.18 H new ATOM 395 N PRO A 54 -6.750 -11.593 0.092 1.00 1.02 N ATOM 396 CA PRO A 54 -5.345 -11.404 0.486 1.00 1.10 C ATOM 397 C PRO A 54 -4.321 -11.942 -0.513 1.00 1.03 C ATOM 398 O PRO A 54 -3.201 -11.431 -0.592 1.00 1.68 O ATOM 399 CB PRO A 54 -5.240 -12.170 1.804 1.00 1.35 C ATOM 400 CG PRO A 54 -6.621 -12.157 2.357 1.00 1.43 C ATOM 401 CD PRO A 54 -7.534 -12.233 1.169 1.00 1.25 C ATOM 0 HA PRO A 54 -5.111 -10.341 0.550 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -4.887 -13.189 1.643 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -4.536 -11.692 2.485 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -6.782 -13.000 3.029 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -6.803 -11.250 2.934 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -7.788 -13.264 0.923 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -8.472 -11.708 1.349 1.00 1.25 H new ATOM 409 N LYS A 55 -4.692 -12.960 -1.272 1.00 0.89 N ATOM 410 CA LYS A 55 -3.743 -13.609 -2.164 1.00 0.96 C ATOM 411 C LYS A 55 -4.238 -13.631 -3.606 1.00 0.82 C ATOM 412 O LYS A 55 -3.876 -14.512 -4.382 1.00 0.92 O ATOM 413 CB LYS A 55 -3.450 -15.025 -1.667 1.00 1.26 C ATOM 414 CG LYS A 55 -2.645 -15.043 -0.377 1.00 1.53 C ATOM 415 CD LYS A 55 -2.474 -16.451 0.159 1.00 2.06 C ATOM 416 CE LYS A 55 -1.523 -16.484 1.344 1.00 2.89 C ATOM 417 NZ LYS A 55 -1.953 -15.570 2.436 1.00 3.61 N ATOM 0 H LYS A 55 -5.633 -13.352 -1.290 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.821 -13.028 -2.155 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -4.391 -15.552 -1.510 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -2.905 -15.570 -2.438 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -1.665 -14.600 -0.554 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -3.143 -14.427 0.371 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -3.444 -16.848 0.458 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -2.095 -17.099 -0.631 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -1.460 -17.502 1.729 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -0.523 -16.206 1.013 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -1.367 -15.736 3.279 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -1.843 -14.583 2.126 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -2.951 -15.751 2.668 1.00 3.61 H new ATOM 431 N GLN A 56 -5.047 -12.645 -3.972 1.00 0.72 N ATOM 432 CA GLN A 56 -5.497 -12.519 -5.354 1.00 0.73 C ATOM 433 C GLN A 56 -4.605 -11.563 -6.132 1.00 0.63 C ATOM 434 O GLN A 56 -4.819 -11.312 -7.318 1.00 0.79 O ATOM 435 CB GLN A 56 -6.952 -12.059 -5.415 1.00 0.87 C ATOM 436 CG GLN A 56 -7.937 -13.150 -5.043 1.00 1.32 C ATOM 437 CD GLN A 56 -7.834 -14.359 -5.955 1.00 1.92 C ATOM 438 OE1 GLN A 56 -7.488 -14.238 -7.132 1.00 2.50 O ATOM 439 NE2 GLN A 56 -8.133 -15.530 -5.419 1.00 2.41 N ATOM 0 H GLN A 56 -5.402 -11.928 -3.340 1.00 0.72 H new ATOM 0 HA GLN A 56 -5.429 -13.504 -5.816 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -7.087 -11.211 -4.743 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -7.173 -11.706 -6.422 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.760 -13.459 -4.013 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.950 -12.751 -5.086 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -8.415 -15.586 -4.440 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -8.082 -16.378 -5.984 1.00 2.41 H new ATOM 448 N VAL A 57 -3.608 -11.027 -5.454 1.00 0.52 N ATOM 449 CA VAL A 57 -2.629 -10.186 -6.098 1.00 0.48 C ATOM 450 C VAL A 57 -1.403 -10.996 -6.551 1.00 0.55 C ATOM 451 O VAL A 57 -1.415 -11.549 -7.650 1.00 0.97 O ATOM 452 CB VAL A 57 -2.282 -9.140 -5.347 1.00 0.52 C ATOM 453 CG1 VAL A 57 -3.258 -7.999 -5.598 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.270 -9.474 -3.855 1.00 0.58 C ATOM 0 H VAL A 57 -3.458 -11.162 -4.454 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.102 -9.779 -6.992 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.269 -8.853 -5.628 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -2.979 -7.141 -4.987 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -3.228 -7.719 -6.651 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.267 -8.319 -5.336 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -1.981 -8.590 -3.287 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.265 -9.795 -3.546 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.555 -10.275 -3.667 1.00 0.58 H new ATOM 464 N ILE A 58 -0.360 -11.056 -5.716 1.00 0.51 N ATOM 465 CA ILE A 58 0.868 -11.813 -6.006 1.00 0.57 C ATOM 466 C ILE A 58 1.491 -11.416 -7.351 1.00 0.57 C ATOM 467 O ILE A 58 1.084 -11.901 -8.407 1.00 0.66 O ATOM 468 CB ILE A 58 0.648 -13.127 -5.999 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.015 -13.584 -4.679 1.00 0.93 C ATOM 470 CG2 ILE A 58 1.948 -13.892 -6.250 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.959 -13.541 -3.496 1.00 1.01 C ATOM 0 H ILE A 58 -0.342 -10.579 -4.815 1.00 0.51 H new ATOM 0 HA ILE A 58 1.569 -11.561 -5.210 1.00 0.57 H new ATOM 0 HB ILE A 58 -0.054 -13.346 -6.804 1.00 0.70 H new ATOM 0 HG12 ILE A 58 -0.848 -12.954 -4.465 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.355 -14.602 -4.799 1.00 0.93 H new ATOM 0 HG21 ILE A 58 1.747 -14.963 -6.240 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.356 -13.608 -7.220 1.00 1.09 H new ATOM 0 HG23 ILE A 58 2.669 -13.651 -5.469 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.436 -13.879 -2.601 1.00 1.01 H new ATOM 0 HD12 ILE A 58 1.811 -14.193 -3.687 1.00 1.01 H new ATOM 0 HD13 ILE A 58 1.310 -12.520 -3.347 1.00 1.01 H new ATOM 483 N GLY A 59 2.511 -10.566 -7.306 1.00 0.59 N ATOM 484 CA GLY A 59 3.124 -10.089 -8.536 1.00 0.66 C ATOM 485 C GLY A 59 2.186 -9.160 -9.260 1.00 0.56 C ATOM 486 O GLY A 59 2.209 -9.035 -10.483 1.00 0.65 O ATOM 0 H GLY A 59 2.923 -10.200 -6.448 1.00 0.59 H new ATOM 0 HA2 GLY A 59 4.056 -9.572 -8.309 1.00 0.66 H new ATOM 0 HA3 GLY A 59 3.376 -10.934 -9.176 1.00 0.66 H new ATOM 490 N LYS A 60 1.358 -8.520 -8.465 1.00 0.48 N ATOM 491 CA LYS A 60 0.303 -7.661 -8.940 1.00 0.45 C ATOM 492 C LYS A 60 0.623 -6.220 -8.586 1.00 0.38 C ATOM 493 O LYS A 60 0.794 -5.903 -7.415 1.00 0.43 O ATOM 494 CB LYS A 60 -0.986 -8.098 -8.263 1.00 0.49 C ATOM 495 CG LYS A 60 -1.928 -8.887 -9.154 1.00 0.80 C ATOM 496 CD LYS A 60 -2.575 -7.996 -10.187 1.00 1.12 C ATOM 497 CE LYS A 60 -3.725 -8.691 -10.893 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.906 -8.848 -10.000 1.00 1.82 N ATOM 0 H LYS A 60 1.403 -8.585 -7.448 1.00 0.48 H new ATOM 0 HA LYS A 60 0.201 -7.732 -10.023 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -0.737 -8.704 -7.392 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.508 -7.214 -7.897 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -1.379 -9.686 -9.652 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -2.698 -9.361 -8.545 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -2.940 -7.088 -9.706 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -1.830 -7.691 -10.921 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.010 -8.118 -11.775 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -3.399 -9.671 -11.241 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.753 -9.036 -10.574 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -4.745 -9.643 -9.349 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -5.046 -7.975 -9.453 1.00 1.82 H new ATOM 512 N ASN A 61 0.718 -5.360 -9.582 1.00 0.43 N ATOM 513 CA ASN A 61 1.088 -3.971 -9.338 1.00 0.42 C ATOM 514 C ASN A 61 -0.047 -3.220 -8.645 1.00 0.39 C ATOM 515 O ASN A 61 -1.068 -2.899 -9.257 1.00 0.42 O ATOM 516 CB ASN A 61 1.489 -3.284 -10.650 1.00 0.52 C ATOM 517 CG ASN A 61 2.124 -1.918 -10.441 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.721 -1.151 -9.572 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.151 -1.621 -11.217 1.00 0.71 N ATOM 0 H ASN A 61 0.547 -5.591 -10.561 1.00 0.43 H new ATOM 0 HA ASN A 61 1.950 -3.956 -8.671 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.188 -3.924 -11.189 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.606 -3.175 -11.280 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.635 -0.731 -11.103 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.460 -2.282 -11.930 1.00 0.71 H new ATOM 526 N PHE A 62 0.145 -2.974 -7.352 1.00 0.38 N ATOM 527 CA PHE A 62 -0.810 -2.234 -6.532 1.00 0.40 C ATOM 528 C PHE A 62 -1.130 -0.885 -7.149 1.00 0.47 C ATOM 529 O PHE A 62 -2.277 -0.451 -7.156 1.00 0.70 O ATOM 530 CB PHE A 62 -0.235 -2.028 -5.126 1.00 0.43 C ATOM 531 CG PHE A 62 -1.133 -1.256 -4.195 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.821 0.044 -3.835 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.283 -1.833 -3.680 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.638 0.754 -2.977 1.00 0.55 C ATOM 535 CE2 PHE A 62 -3.106 -1.126 -2.822 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.782 0.169 -2.470 1.00 0.53 C ATOM 0 H PHE A 62 0.972 -3.284 -6.841 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.730 -2.815 -6.475 1.00 0.40 H new ATOM 0 HB2 PHE A 62 -0.026 -3.003 -4.685 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.718 -1.505 -5.209 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.071 0.508 -4.229 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.540 -2.846 -3.952 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.382 1.767 -2.702 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -4.000 -1.586 -2.428 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.422 0.724 -1.800 1.00 0.53 H new ATOM 546 N PHE A 63 -0.112 -0.250 -7.700 1.00 0.46 N ATOM 547 CA PHE A 63 -0.230 1.102 -8.219 1.00 0.55 C ATOM 548 C PHE A 63 -0.811 1.103 -9.631 1.00 0.66 C ATOM 549 O PHE A 63 -0.516 1.988 -10.437 1.00 0.91 O ATOM 550 CB PHE A 63 1.143 1.778 -8.202 1.00 0.57 C ATOM 551 CG PHE A 63 1.780 1.797 -6.841 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.559 0.738 -6.410 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.605 2.880 -5.996 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.152 0.756 -5.165 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.195 2.905 -4.748 1.00 1.04 C ATOM 556 CZ PHE A 63 2.944 1.825 -4.320 1.00 1.16 C ATOM 0 H PHE A 63 0.819 -0.655 -7.801 1.00 0.46 H new ATOM 0 HA PHE A 63 -0.915 1.661 -7.582 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.804 1.260 -8.897 1.00 0.57 H new ATOM 0 HB3 PHE A 63 1.041 2.802 -8.562 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.705 -0.114 -7.057 1.00 0.82 H new ATOM 0 HD2 PHE A 63 1.000 3.715 -6.317 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.778 -0.066 -4.853 1.00 1.10 H new ATOM 0 HE2 PHE A 63 2.072 3.766 -4.108 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.365 1.819 -3.326 1.00 1.16 H new ATOM 566 N LYS A 64 -1.655 0.119 -9.919 1.00 0.57 N ATOM 567 CA LYS A 64 -2.310 0.029 -11.211 1.00 0.72 C ATOM 568 C LYS A 64 -3.527 -0.891 -11.133 1.00 0.72 C ATOM 569 O LYS A 64 -4.586 -0.581 -11.682 1.00 0.90 O ATOM 570 CB LYS A 64 -1.327 -0.472 -12.270 1.00 0.82 C ATOM 571 CG LYS A 64 -1.799 -0.256 -13.700 1.00 1.56 C ATOM 572 CD LYS A 64 -2.152 1.206 -13.963 1.00 2.11 C ATOM 573 CE LYS A 64 -0.951 2.130 -13.803 1.00 2.85 C ATOM 574 NZ LYS A 64 0.107 1.869 -14.816 1.00 3.58 N ATOM 0 H LYS A 64 -1.900 -0.629 -9.270 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.651 1.024 -11.496 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.371 0.034 -12.133 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -1.150 -1.536 -12.113 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -1.019 -0.572 -14.392 1.00 1.56 H new ATOM 0 HG3 LYS A 64 -2.670 -0.881 -13.894 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -2.551 1.305 -14.972 1.00 2.11 H new ATOM 0 HD3 LYS A 64 -2.940 1.516 -13.277 1.00 2.11 H new ATOM 0 HE2 LYS A 64 -1.280 3.166 -13.885 1.00 2.85 H new ATOM 0 HE3 LYS A 64 -0.532 2.006 -12.804 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 0.846 2.596 -14.741 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 0.525 0.932 -14.648 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 -0.310 1.896 -15.768 1.00 3.58 H new ATOM 588 N ASP A 65 -3.378 -2.017 -10.441 1.00 0.60 N ATOM 589 CA ASP A 65 -4.464 -2.988 -10.315 1.00 0.69 C ATOM 590 C ASP A 65 -5.466 -2.553 -9.248 1.00 0.74 C ATOM 591 O ASP A 65 -6.525 -2.013 -9.564 1.00 1.10 O ATOM 592 CB ASP A 65 -3.924 -4.392 -9.998 1.00 0.79 C ATOM 593 CG ASP A 65 -5.025 -5.442 -9.932 1.00 1.38 C ATOM 594 OD1 ASP A 65 -5.947 -5.400 -10.772 1.00 1.50 O ATOM 595 OD2 ASP A 65 -4.954 -6.333 -9.059 1.00 2.20 O ATOM 0 H ASP A 65 -2.518 -2.281 -9.959 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.978 -3.030 -11.276 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -3.199 -4.679 -10.760 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.394 -4.367 -9.046 1.00 0.79 H new ATOM 600 N VAL A 66 -5.115 -2.762 -7.982 1.00 0.70 N ATOM 601 CA VAL A 66 -6.042 -2.510 -6.881 1.00 0.82 C ATOM 602 C VAL A 66 -5.962 -1.047 -6.409 1.00 0.70 C ATOM 603 O VAL A 66 -6.453 -0.694 -5.342 1.00 0.80 O ATOM 604 CB VAL A 66 -5.797 -3.318 -5.847 1.00 1.05 C ATOM 605 CG1 VAL A 66 -6.994 -3.394 -4.906 1.00 1.45 C ATOM 606 CG2 VAL A 66 -5.397 -4.716 -6.301 1.00 1.77 C ATOM 0 H VAL A 66 -4.199 -3.104 -7.693 1.00 0.70 H new ATOM 0 HA VAL A 66 -7.045 -2.709 -7.259 1.00 0.82 H new ATOM 0 HB VAL A 66 -4.956 -2.886 -5.305 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -6.762 -4.060 -4.075 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -7.219 -2.399 -4.522 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -7.859 -3.778 -5.447 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -5.207 -5.341 -5.429 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -6.204 -5.152 -6.891 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -4.494 -4.657 -6.909 1.00 1.77 H new ATOM 616 N ALA A 67 -5.344 -0.194 -7.219 1.00 0.56 N ATOM 617 CA ALA A 67 -5.204 1.221 -6.877 1.00 0.53 C ATOM 618 C ALA A 67 -4.510 1.991 -7.989 1.00 0.49 C ATOM 619 O ALA A 67 -3.291 2.006 -8.069 1.00 0.61 O ATOM 620 CB ALA A 67 -4.426 1.397 -5.578 1.00 0.60 C ATOM 0 H ALA A 67 -4.932 -0.455 -8.115 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.210 1.620 -6.746 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.337 2.459 -5.348 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.952 0.893 -4.767 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.431 0.965 -5.688 1.00 0.60 H new ATOM 626 N PRO A 68 -5.271 2.609 -8.889 1.00 0.44 N ATOM 627 CA PRO A 68 -4.711 3.457 -9.938 1.00 0.47 C ATOM 628 C PRO A 68 -4.326 4.848 -9.434 1.00 0.55 C ATOM 629 O PRO A 68 -3.520 5.533 -10.061 1.00 0.81 O ATOM 630 CB PRO A 68 -5.845 3.562 -10.968 1.00 0.56 C ATOM 631 CG PRO A 68 -6.908 2.622 -10.499 1.00 0.69 C ATOM 632 CD PRO A 68 -6.720 2.491 -9.017 1.00 0.47 C ATOM 0 HA PRO A 68 -3.789 3.035 -10.338 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.224 4.582 -11.030 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.495 3.291 -11.964 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.900 3.007 -10.734 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -6.817 1.654 -10.991 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.244 3.273 -8.468 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.087 1.536 -8.641 1.00 0.47 H new ATOM 640 N CYS A 69 -4.887 5.264 -8.298 1.00 0.51 N ATOM 641 CA CYS A 69 -4.622 6.607 -7.784 1.00 0.61 C ATOM 642 C CYS A 69 -3.246 6.677 -7.132 1.00 0.59 C ATOM 643 O CYS A 69 -2.554 7.688 -7.262 1.00 0.81 O ATOM 644 CB CYS A 69 -5.702 7.066 -6.789 1.00 0.85 C ATOM 645 SG CYS A 69 -5.651 6.268 -5.146 1.00 0.81 S ATOM 0 H CYS A 69 -5.517 4.702 -7.725 1.00 0.51 H new ATOM 0 HA CYS A 69 -4.645 7.285 -8.637 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -5.611 8.144 -6.653 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -6.681 6.882 -7.232 1.00 0.85 H new ATOM 0 HG CYS A 69 -6.607 6.742 -4.404 1.00 0.81 H new ATOM 650 N THR A 70 -2.727 5.508 -6.775 1.00 0.61 N ATOM 651 CA THR A 70 -1.499 5.429 -6.004 1.00 0.58 C ATOM 652 C THR A 70 -0.287 5.762 -6.866 1.00 0.55 C ATOM 653 O THR A 70 0.647 6.420 -6.407 1.00 0.64 O ATOM 654 CB THR A 70 -1.359 4.232 -5.484 1.00 0.63 C ATOM 655 OG1 THR A 70 -1.600 3.242 -6.488 1.00 1.33 O ATOM 656 CG2 THR A 70 -2.300 4.028 -4.307 1.00 1.07 C ATOM 0 H THR A 70 -3.139 4.605 -7.008 1.00 0.61 H new ATOM 0 HA THR A 70 -1.564 6.162 -5.200 1.00 0.58 H new ATOM 0 HB THR A 70 -0.338 4.134 -5.114 1.00 0.63 H new ATOM 0 HG1 THR A 70 -2.541 2.971 -6.461 1.00 1.33 H new ATOM 0 HG21 THR A 70 -2.160 3.027 -3.898 1.00 1.07 H new ATOM 0 HG22 THR A 70 -2.085 4.768 -3.536 1.00 1.07 H new ATOM 0 HG23 THR A 70 -3.331 4.142 -4.641 1.00 1.07 H new ATOM 664 N ASP A 71 -0.323 5.345 -8.127 1.00 0.55 N ATOM 665 CA ASP A 71 0.720 5.708 -9.080 1.00 0.63 C ATOM 666 C ASP A 71 0.749 7.220 -9.266 1.00 0.70 C ATOM 667 O ASP A 71 -0.035 7.770 -10.039 1.00 0.88 O ATOM 668 CB ASP A 71 0.469 5.040 -10.428 1.00 0.76 C ATOM 669 CG ASP A 71 1.617 5.236 -11.407 1.00 0.96 C ATOM 670 OD1 ASP A 71 1.815 6.381 -11.866 1.00 1.85 O ATOM 671 OD2 ASP A 71 2.325 4.253 -11.727 1.00 1.34 O ATOM 0 H ASP A 71 -1.062 4.757 -8.513 1.00 0.55 H new ATOM 0 HA ASP A 71 1.678 5.368 -8.687 1.00 0.63 H new ATOM 0 HB2 ASP A 71 0.307 3.973 -10.275 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.446 5.443 -10.863 1.00 0.76 H new ATOM 676 N SER A 72 1.636 7.881 -8.537 1.00 0.66 N ATOM 677 CA SER A 72 1.716 9.335 -8.535 1.00 0.77 C ATOM 678 C SER A 72 2.760 9.780 -7.523 1.00 0.76 C ATOM 679 O SER A 72 3.085 9.024 -6.611 1.00 0.71 O ATOM 680 CB SER A 72 0.349 9.947 -8.185 1.00 0.88 C ATOM 681 OG SER A 72 -0.176 9.387 -6.988 1.00 1.56 O ATOM 0 H SER A 72 2.319 7.426 -7.931 1.00 0.66 H new ATOM 0 HA SER A 72 2.003 9.678 -9.529 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.450 11.026 -8.071 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.349 9.777 -9.005 1.00 0.88 H new ATOM 0 HG SER A 72 -0.964 8.844 -7.199 1.00 1.56 H new ATOM 687 N PRO A 73 3.309 10.998 -7.668 1.00 0.90 N ATOM 688 CA PRO A 73 4.293 11.545 -6.724 1.00 0.99 C ATOM 689 C PRO A 73 3.801 11.495 -5.277 1.00 0.96 C ATOM 690 O PRO A 73 4.595 11.337 -4.349 1.00 1.05 O ATOM 691 CB PRO A 73 4.455 12.994 -7.177 1.00 1.13 C ATOM 692 CG PRO A 73 4.097 12.979 -8.619 1.00 1.17 C ATOM 693 CD PRO A 73 3.025 11.938 -8.768 1.00 1.05 C ATOM 0 HA PRO A 73 5.222 10.974 -6.731 1.00 0.99 H new ATOM 0 HB2 PRO A 73 3.802 13.661 -6.614 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.476 13.345 -7.026 1.00 1.13 H new ATOM 0 HG2 PRO A 73 3.739 13.957 -8.943 1.00 1.17 H new ATOM 0 HG3 PRO A 73 4.964 12.737 -9.234 1.00 1.17 H new ATOM 0 HD2 PRO A 73 2.029 12.371 -8.680 1.00 1.05 H new ATOM 0 HD3 PRO A 73 3.074 11.447 -9.740 1.00 1.05 H new ATOM 701 N GLU A 74 2.491 11.632 -5.098 1.00 0.91 N ATOM 702 CA GLU A 74 1.881 11.567 -3.777 1.00 0.96 C ATOM 703 C GLU A 74 2.174 10.234 -3.098 1.00 0.93 C ATOM 704 O GLU A 74 2.757 10.190 -2.014 1.00 1.25 O ATOM 705 CB GLU A 74 0.364 11.759 -3.863 1.00 1.07 C ATOM 706 CG GLU A 74 -0.068 13.097 -4.440 1.00 0.90 C ATOM 707 CD GLU A 74 -0.267 13.068 -5.945 1.00 1.59 C ATOM 708 OE1 GLU A 74 0.728 12.857 -6.672 1.00 2.56 O ATOM 709 OE2 GLU A 74 -1.408 13.257 -6.409 1.00 1.58 O ATOM 0 H GLU A 74 1.829 11.790 -5.858 1.00 0.91 H new ATOM 0 HA GLU A 74 2.315 12.373 -3.185 1.00 0.96 H new ATOM 0 HB2 GLU A 74 -0.057 10.961 -4.474 1.00 1.07 H new ATOM 0 HB3 GLU A 74 -0.060 11.654 -2.865 1.00 1.07 H new ATOM 0 HG2 GLU A 74 -0.998 13.406 -3.964 1.00 0.90 H new ATOM 0 HG3 GLU A 74 0.681 13.849 -4.194 1.00 0.90 H new ATOM 716 N PHE A 75 1.760 9.151 -3.740 1.00 0.80 N ATOM 717 CA PHE A 75 1.915 7.818 -3.163 1.00 0.79 C ATOM 718 C PHE A 75 3.178 7.130 -3.682 1.00 0.66 C ATOM 719 O PHE A 75 4.140 6.936 -2.939 1.00 0.66 O ATOM 720 CB PHE A 75 0.698 6.945 -3.474 1.00 0.87 C ATOM 721 CG PHE A 75 -0.624 7.617 -3.220 1.00 1.53 C ATOM 722 CD1 PHE A 75 -1.345 8.170 -4.267 1.00 2.26 C ATOM 723 CD2 PHE A 75 -1.144 7.694 -1.939 1.00 1.74 C ATOM 724 CE1 PHE A 75 -2.559 8.789 -4.039 1.00 3.20 C ATOM 725 CE2 PHE A 75 -2.358 8.312 -1.706 1.00 2.61 C ATOM 726 CZ PHE A 75 -3.066 8.860 -2.758 1.00 3.36 C ATOM 0 H PHE A 75 1.315 9.166 -4.658 1.00 0.80 H new ATOM 0 HA PHE A 75 2.002 7.942 -2.084 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.742 6.639 -4.519 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.753 6.037 -2.873 1.00 0.87 H new ATOM 0 HD1 PHE A 75 -0.953 8.116 -5.272 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -0.595 7.267 -1.113 1.00 1.74 H new ATOM 0 HE1 PHE A 75 -3.111 9.217 -4.863 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -2.753 8.366 -0.702 1.00 2.61 H new ATOM 0 HZ PHE A 75 -4.015 9.343 -2.578 1.00 3.36 H new ATOM 736 N TYR A 76 3.170 6.772 -4.967 1.00 0.59 N ATOM 737 CA TYR A 76 4.279 6.034 -5.575 1.00 0.50 C ATOM 738 C TYR A 76 5.567 6.854 -5.546 1.00 0.47 C ATOM 739 O TYR A 76 6.662 6.297 -5.463 1.00 0.49 O ATOM 740 CB TYR A 76 3.936 5.638 -7.015 1.00 0.51 C ATOM 741 CG TYR A 76 4.930 4.674 -7.634 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.818 5.103 -8.610 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.976 3.340 -7.247 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.727 4.235 -9.185 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.884 2.464 -7.817 1.00 0.59 C ATOM 746 CZ TYR A 76 6.749 2.890 -8.757 1.00 0.65 C ATOM 747 OH TYR A 76 7.656 2.046 -9.364 1.00 0.79 O ATOM 0 H TYR A 76 2.405 6.982 -5.609 1.00 0.59 H new ATOM 0 HA TYR A 76 4.438 5.128 -4.990 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.945 5.185 -7.032 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.886 6.538 -7.628 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.799 6.135 -8.927 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.294 2.981 -6.491 1.00 0.51 H new ATOM 0 HE1 TYR A 76 7.409 4.580 -9.948 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.899 1.430 -7.505 1.00 0.59 H new ATOM 0 HH TYR A 76 7.574 1.148 -8.981 1.00 0.79 H new ATOM 757 N GLY A 77 5.427 8.172 -5.607 1.00 0.48 N ATOM 758 CA GLY A 77 6.579 9.049 -5.546 1.00 0.50 C ATOM 759 C GLY A 77 7.336 8.908 -4.243 1.00 0.52 C ATOM 760 O GLY A 77 8.563 8.889 -4.233 1.00 0.60 O ATOM 0 H GLY A 77 4.531 8.651 -5.698 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.247 8.827 -6.378 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.254 10.082 -5.665 1.00 0.50 H new ATOM 764 N LYS A 78 6.602 8.794 -3.142 1.00 0.53 N ATOM 765 CA LYS A 78 7.213 8.600 -1.830 1.00 0.60 C ATOM 766 C LYS A 78 7.620 7.144 -1.652 1.00 0.59 C ATOM 767 O LYS A 78 8.588 6.834 -0.954 1.00 0.66 O ATOM 768 CB LYS A 78 6.248 9.026 -0.721 1.00 0.69 C ATOM 769 CG LYS A 78 5.875 10.496 -0.785 1.00 0.77 C ATOM 770 CD LYS A 78 7.103 11.380 -0.651 1.00 1.17 C ATOM 771 CE LYS A 78 6.807 12.812 -1.059 1.00 1.41 C ATOM 772 NZ LYS A 78 7.997 13.688 -0.900 1.00 2.09 N ATOM 0 H LYS A 78 5.583 8.832 -3.131 1.00 0.53 H new ATOM 0 HA LYS A 78 8.105 9.223 -1.765 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.341 8.425 -0.786 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.702 8.815 0.247 1.00 0.69 H new ATOM 0 HG2 LYS A 78 5.374 10.706 -1.730 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.167 10.729 0.010 1.00 0.77 H new ATOM 0 HD2 LYS A 78 7.456 11.360 0.380 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.907 10.983 -1.271 1.00 1.17 H new ATOM 0 HE2 LYS A 78 6.476 12.833 -2.097 1.00 1.41 H new ATOM 0 HE3 LYS A 78 5.987 13.200 -0.455 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 7.707 14.684 -0.973 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 8.429 13.521 0.031 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 8.689 13.473 -1.646 1.00 2.09 H new ATOM 786 N PHE A 79 6.876 6.263 -2.306 1.00 0.52 N ATOM 787 CA PHE A 79 7.166 4.834 -2.311 1.00 0.50 C ATOM 788 C PHE A 79 8.570 4.572 -2.849 1.00 0.51 C ATOM 789 O PHE A 79 9.308 3.736 -2.325 1.00 0.56 O ATOM 790 CB PHE A 79 6.115 4.112 -3.164 1.00 0.48 C ATOM 791 CG PHE A 79 6.297 2.625 -3.263 1.00 0.51 C ATOM 792 CD1 PHE A 79 5.823 1.786 -2.270 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.955 2.069 -4.345 1.00 0.53 C ATOM 794 CE1 PHE A 79 5.999 0.421 -2.357 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.134 0.707 -4.437 1.00 0.61 C ATOM 796 CZ PHE A 79 6.610 -0.122 -3.450 1.00 0.65 C ATOM 0 H PHE A 79 6.052 6.519 -2.850 1.00 0.52 H new ATOM 0 HA PHE A 79 7.125 4.453 -1.290 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.128 4.316 -2.749 1.00 0.48 H new ATOM 0 HB3 PHE A 79 6.131 4.534 -4.169 1.00 0.48 H new ATOM 0 HD1 PHE A 79 5.309 2.205 -1.417 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.333 2.711 -5.127 1.00 0.53 H new ATOM 0 HE1 PHE A 79 5.653 -0.219 -1.559 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.677 0.285 -5.270 1.00 0.61 H new ATOM 0 HZ PHE A 79 6.687 -1.195 -3.549 1.00 0.65 H new ATOM 806 N LYS A 80 8.939 5.307 -3.883 1.00 0.51 N ATOM 807 CA LYS A 80 10.244 5.147 -4.509 1.00 0.58 C ATOM 808 C LYS A 80 11.241 6.148 -3.952 1.00 0.63 C ATOM 809 O LYS A 80 12.448 6.018 -4.158 1.00 0.66 O ATOM 810 CB LYS A 80 10.131 5.311 -6.026 1.00 0.64 C ATOM 811 CG LYS A 80 9.155 4.334 -6.654 1.00 0.69 C ATOM 812 CD LYS A 80 9.532 2.895 -6.337 1.00 0.72 C ATOM 813 CE LYS A 80 10.737 2.427 -7.137 1.00 0.93 C ATOM 814 NZ LYS A 80 10.463 2.384 -8.601 1.00 1.09 N ATOM 0 H LYS A 80 8.352 6.024 -4.310 1.00 0.51 H new ATOM 0 HA LYS A 80 10.603 4.142 -4.286 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.815 6.329 -6.254 1.00 0.64 H new ATOM 0 HB3 LYS A 80 11.114 5.174 -6.476 1.00 0.64 H new ATOM 0 HG2 LYS A 80 8.148 4.537 -6.289 1.00 0.69 H new ATOM 0 HG3 LYS A 80 9.137 4.478 -7.734 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.747 2.804 -5.272 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.683 2.244 -6.547 1.00 0.72 H new ATOM 0 HE2 LYS A 80 11.578 3.094 -6.947 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.033 1.435 -6.796 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 10.987 1.594 -9.029 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 9.444 2.250 -8.760 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.767 3.278 -9.037 1.00 1.09 H new ATOM 828 N GLU A 81 10.736 7.128 -3.214 1.00 0.67 N ATOM 829 CA GLU A 81 11.574 8.216 -2.725 1.00 0.78 C ATOM 830 C GLU A 81 12.547 7.704 -1.675 1.00 0.67 C ATOM 831 O GLU A 81 13.730 8.046 -1.691 1.00 0.70 O ATOM 832 CB GLU A 81 10.718 9.348 -2.149 1.00 0.94 C ATOM 833 CG GLU A 81 11.497 10.618 -1.859 1.00 1.25 C ATOM 834 CD GLU A 81 10.608 11.751 -1.388 1.00 1.57 C ATOM 835 OE1 GLU A 81 9.985 12.422 -2.236 1.00 2.07 O ATOM 836 OE2 GLU A 81 10.525 11.981 -0.162 1.00 2.04 O ATOM 0 H GLU A 81 9.755 7.192 -2.942 1.00 0.67 H new ATOM 0 HA GLU A 81 12.142 8.612 -3.567 1.00 0.78 H new ATOM 0 HB2 GLU A 81 9.916 9.577 -2.850 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.248 9.003 -1.228 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.251 10.412 -1.099 1.00 1.25 H new ATOM 0 HG3 GLU A 81 12.028 10.928 -2.759 1.00 1.25 H new ATOM 843 N GLY A 82 12.048 6.870 -0.771 1.00 0.62 N ATOM 844 CA GLY A 82 12.892 6.312 0.266 1.00 0.62 C ATOM 845 C GLY A 82 13.943 5.374 -0.299 1.00 0.62 C ATOM 846 O GLY A 82 15.111 5.435 0.089 1.00 0.72 O ATOM 0 H GLY A 82 11.074 6.571 -0.738 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.382 7.120 0.809 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.275 5.774 0.985 1.00 0.62 H new ATOM 850 N VAL A 83 13.521 4.527 -1.235 1.00 0.58 N ATOM 851 CA VAL A 83 14.408 3.551 -1.863 1.00 0.66 C ATOM 852 C VAL A 83 15.554 4.248 -2.594 1.00 0.73 C ATOM 853 O VAL A 83 16.725 3.930 -2.379 1.00 0.85 O ATOM 854 CB VAL A 83 13.744 2.796 -2.727 1.00 0.68 C ATOM 855 CG1 VAL A 83 14.609 1.629 -3.189 1.00 0.83 C ATOM 856 CG2 VAL A 83 12.434 2.297 -2.137 1.00 0.65 C ATOM 0 H VAL A 83 12.561 4.498 -1.578 1.00 0.58 H new ATOM 0 HA VAL A 83 14.813 2.923 -1.070 1.00 0.66 H new ATOM 0 HB VAL A 83 13.501 3.412 -3.593 1.00 0.68 H new ATOM 0 HG11 VAL A 83 14.049 1.019 -3.898 1.00 0.83 H new ATOM 0 HG12 VAL A 83 15.509 2.011 -3.671 1.00 0.83 H new ATOM 0 HG13 VAL A 83 14.889 1.021 -2.329 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.915 1.681 -2.872 1.00 0.65 H new ATOM 0 HG22 VAL A 83 12.639 1.703 -1.246 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.808 3.148 -1.870 1.00 0.65 H new ATOM 866 N ALA A 84 15.209 5.236 -3.415 1.00 0.70 N ATOM 867 CA ALA A 84 16.192 5.959 -4.217 1.00 0.81 C ATOM 868 C ALA A 84 17.071 6.871 -3.361 1.00 0.92 C ATOM 869 O ALA A 84 18.002 7.499 -3.865 1.00 1.14 O ATOM 870 CB ALA A 84 15.491 6.761 -5.305 1.00 0.85 C ATOM 0 H ALA A 84 14.249 5.556 -3.543 1.00 0.70 H new ATOM 0 HA ALA A 84 16.848 5.222 -4.680 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.233 7.296 -5.897 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.930 6.085 -5.951 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.808 7.476 -4.847 1.00 0.85 H new ATOM 876 N SER A 85 16.773 6.956 -2.073 1.00 0.92 N ATOM 877 CA SER A 85 17.574 7.762 -1.168 1.00 1.12 C ATOM 878 C SER A 85 18.536 6.886 -0.370 1.00 1.16 C ATOM 879 O SER A 85 19.742 6.887 -0.622 1.00 1.40 O ATOM 880 CB SER A 85 16.676 8.566 -0.228 1.00 1.38 C ATOM 881 OG SER A 85 15.840 9.445 -0.960 1.00 1.82 O ATOM 0 H SER A 85 15.986 6.479 -1.634 1.00 0.92 H new ATOM 0 HA SER A 85 18.163 8.460 -1.764 1.00 1.12 H new ATOM 0 HB2 SER A 85 16.065 7.887 0.367 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.290 9.137 0.469 1.00 1.38 H new ATOM 0 HG SER A 85 14.968 9.023 -1.104 1.00 1.82 H new ATOM 887 N GLY A 86 18.004 6.142 0.591 1.00 1.12 N ATOM 888 CA GLY A 86 18.834 5.280 1.408 1.00 1.47 C ATOM 889 C GLY A 86 18.012 4.301 2.211 1.00 1.35 C ATOM 890 O GLY A 86 18.106 3.086 2.028 1.00 1.65 O ATOM 0 H GLY A 86 17.010 6.121 0.819 1.00 1.12 H new ATOM 0 HA2 GLY A 86 19.528 4.733 0.770 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.435 5.889 2.083 1.00 1.47 H new ATOM 894 N ASN A 87 17.206 4.842 3.109 1.00 1.30 N ATOM 895 CA ASN A 87 16.334 4.037 3.947 1.00 1.28 C ATOM 896 C ASN A 87 14.888 4.271 3.550 1.00 0.81 C ATOM 897 O ASN A 87 14.490 5.401 3.270 1.00 1.19 O ATOM 898 CB ASN A 87 16.534 4.390 5.423 1.00 1.94 C ATOM 899 CG ASN A 87 17.938 4.086 5.909 1.00 2.79 C ATOM 900 OD1 ASN A 87 18.213 2.991 6.402 1.00 3.50 O ATOM 901 ND2 ASN A 87 18.839 5.048 5.771 1.00 3.16 N ATOM 0 H ASN A 87 17.138 5.846 3.277 1.00 1.30 H new ATOM 0 HA ASN A 87 16.583 2.985 3.806 1.00 1.28 H new ATOM 0 HB2 ASN A 87 16.323 5.449 5.571 1.00 1.94 H new ATOM 0 HB3 ASN A 87 15.816 3.834 6.026 1.00 1.94 H new ATOM 0 HD21 ASN A 87 19.800 4.895 6.078 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.572 5.941 5.358 1.00 3.16 H new ATOM 908 N LEU A 88 14.105 3.207 3.526 1.00 0.61 N ATOM 909 CA LEU A 88 12.714 3.302 3.134 1.00 0.75 C ATOM 910 C LEU A 88 11.831 3.155 4.365 1.00 0.56 C ATOM 911 O LEU A 88 11.686 2.058 4.909 1.00 1.00 O ATOM 912 CB LEU A 88 12.393 2.230 2.076 1.00 1.61 C ATOM 913 CG LEU A 88 11.018 2.322 1.388 1.00 2.22 C ATOM 914 CD1 LEU A 88 9.918 1.751 2.266 1.00 2.96 C ATOM 915 CD2 LEU A 88 10.694 3.760 1.011 1.00 2.90 C ATOM 0 H LEU A 88 14.412 2.266 3.774 1.00 0.61 H new ATOM 0 HA LEU A 88 12.519 4.277 2.688 1.00 0.75 H new ATOM 0 HB2 LEU A 88 13.162 2.273 1.305 1.00 1.61 H new ATOM 0 HB3 LEU A 88 12.471 1.251 2.550 1.00 1.61 H new ATOM 0 HG LEU A 88 11.070 1.725 0.478 1.00 2.22 H new ATOM 0 HD11 LEU A 88 8.961 1.832 1.750 1.00 2.96 H new ATOM 0 HD12 LEU A 88 10.129 0.703 2.477 1.00 2.96 H new ATOM 0 HD13 LEU A 88 9.873 2.308 3.202 1.00 2.96 H new ATOM 0 HD21 LEU A 88 9.718 3.798 0.527 1.00 2.90 H new ATOM 0 HD22 LEU A 88 10.678 4.377 1.910 1.00 2.90 H new ATOM 0 HD23 LEU A 88 11.454 4.137 0.326 1.00 2.90 H new ATOM 927 N ASN A 89 11.287 4.271 4.822 1.00 0.54 N ATOM 928 CA ASN A 89 10.346 4.274 5.932 1.00 0.47 C ATOM 929 C ASN A 89 9.750 5.664 6.101 1.00 0.59 C ATOM 930 O ASN A 89 10.456 6.640 6.354 1.00 0.97 O ATOM 931 CB ASN A 89 10.990 3.773 7.242 1.00 0.50 C ATOM 932 CG ASN A 89 12.044 4.703 7.817 1.00 1.31 C ATOM 933 OD1 ASN A 89 11.734 5.603 8.599 1.00 2.24 O ATOM 934 ND2 ASN A 89 13.298 4.463 7.471 1.00 1.82 N ATOM 0 H ASN A 89 11.483 5.195 4.438 1.00 0.54 H new ATOM 0 HA ASN A 89 9.544 3.574 5.697 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.206 3.627 7.986 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.443 2.798 7.061 1.00 0.50 H new ATOM 0 HD21 ASN A 89 14.051 5.033 7.855 1.00 1.82 H new ATOM 0 HD22 ASN A 89 13.512 3.707 6.820 1.00 1.82 H new ATOM 941 N THR A 90 8.448 5.752 5.898 1.00 0.51 N ATOM 942 CA THR A 90 7.730 7.011 5.994 1.00 0.61 C ATOM 943 C THR A 90 6.307 6.761 6.487 1.00 0.53 C ATOM 944 O THR A 90 5.710 5.731 6.178 1.00 0.51 O ATOM 945 CB THR A 90 7.687 7.637 4.820 1.00 0.75 C ATOM 946 OG1 THR A 90 9.002 7.709 4.247 1.00 1.63 O ATOM 947 CG2 THR A 90 7.121 9.046 4.941 1.00 1.39 C ATOM 0 H THR A 90 7.858 4.954 5.662 1.00 0.51 H new ATOM 0 HA THR A 90 8.263 7.646 6.702 1.00 0.61 H new ATOM 0 HB THR A 90 7.026 7.058 4.175 1.00 0.75 H new ATOM 0 HG1 THR A 90 8.958 8.170 3.383 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.105 9.517 3.958 1.00 1.39 H new ATOM 0 HG22 THR A 90 6.106 8.998 5.337 1.00 1.39 H new ATOM 0 HG23 THR A 90 7.746 9.632 5.615 1.00 1.39 H new ATOM 955 N MET A 91 5.803 7.656 7.319 1.00 0.55 N ATOM 956 CA MET A 91 4.415 7.600 7.753 1.00 0.51 C ATOM 957 C MET A 91 3.701 8.880 7.336 1.00 0.57 C ATOM 958 O MET A 91 4.099 9.982 7.721 1.00 0.75 O ATOM 959 CB MET A 91 4.329 7.378 9.273 1.00 0.60 C ATOM 960 CG MET A 91 5.067 8.420 10.105 1.00 1.14 C ATOM 961 SD MET A 91 5.044 8.048 11.871 1.00 1.61 S ATOM 962 CE MET A 91 3.281 8.020 12.196 1.00 1.77 C ATOM 0 H MET A 91 6.335 8.433 7.710 1.00 0.55 H new ATOM 0 HA MET A 91 3.921 6.755 7.274 1.00 0.51 H new ATOM 0 HB2 MET A 91 3.280 7.372 9.568 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.732 6.392 9.507 1.00 0.60 H new ATOM 0 HG2 MET A 91 6.101 8.484 9.765 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.615 9.398 9.938 1.00 1.14 H new ATOM 0 HE1 MET A 91 3.107 8.123 13.267 1.00 1.77 H new ATOM 0 HE2 MET A 91 2.801 8.845 11.669 1.00 1.77 H new ATOM 0 HE3 MET A 91 2.862 7.075 11.849 1.00 1.77 H new ATOM 972 N PHE A 92 2.662 8.739 6.530 1.00 0.49 N ATOM 973 CA PHE A 92 2.003 9.894 5.936 1.00 0.55 C ATOM 974 C PHE A 92 0.489 9.736 5.913 1.00 0.48 C ATOM 975 O PHE A 92 -0.033 8.622 5.967 1.00 0.47 O ATOM 976 CB PHE A 92 2.534 10.128 4.515 1.00 0.72 C ATOM 977 CG PHE A 92 2.713 8.865 3.707 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.618 8.157 3.234 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.983 8.388 3.420 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.786 7.002 2.493 1.00 2.19 C ATOM 981 CE2 PHE A 92 4.157 7.233 2.681 1.00 2.86 C ATOM 982 CZ PHE A 92 3.057 6.540 2.217 1.00 3.01 C ATOM 0 H PHE A 92 2.256 7.840 6.271 1.00 0.49 H new ATOM 0 HA PHE A 92 2.231 10.761 6.557 1.00 0.55 H new ATOM 0 HB2 PHE A 92 1.848 10.790 3.987 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.491 10.645 4.577 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.621 8.513 3.447 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.848 8.926 3.779 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.924 6.462 2.131 1.00 2.19 H new ATOM 0 HE2 PHE A 92 5.152 6.873 2.467 1.00 2.86 H new ATOM 0 HZ PHE A 92 3.191 5.638 1.639 1.00 3.01 H new ATOM 992 N GLU A 93 -0.206 10.865 5.831 1.00 0.48 N ATOM 993 CA GLU A 93 -1.655 10.870 5.732 1.00 0.47 C ATOM 994 C GLU A 93 -2.076 11.186 4.302 1.00 0.45 C ATOM 995 O GLU A 93 -1.716 12.231 3.759 1.00 0.53 O ATOM 996 CB GLU A 93 -2.276 11.901 6.686 1.00 0.58 C ATOM 997 CG GLU A 93 -2.186 11.546 8.166 1.00 1.30 C ATOM 998 CD GLU A 93 -0.780 11.636 8.720 1.00 1.73 C ATOM 999 OE1 GLU A 93 -0.203 10.588 9.065 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -0.250 12.758 8.827 1.00 2.04 O ATOM 0 H GLU A 93 0.217 11.793 5.831 1.00 0.48 H new ATOM 0 HA GLU A 93 -2.014 9.880 6.014 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.786 12.862 6.528 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -3.326 12.032 6.422 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -2.835 12.213 8.733 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -2.563 10.534 8.313 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.824 10.279 3.696 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.313 10.461 2.335 1.00 0.51 C ATOM 1009 C TYR A 94 -4.718 9.897 2.200 1.00 0.42 C ATOM 1010 O TYR A 94 -5.187 9.163 3.071 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.386 9.792 1.318 1.00 0.69 C ATOM 1012 CG TYR A 94 -1.193 10.631 0.909 1.00 1.24 C ATOM 1013 CD1 TYR A 94 0.067 10.378 1.429 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -1.326 11.664 -0.011 1.00 1.19 C ATOM 1015 CE1 TYR A 94 1.162 11.127 1.046 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -0.236 12.421 -0.396 1.00 1.83 C ATOM 1017 CZ TYR A 94 1.007 12.147 0.134 1.00 2.64 C ATOM 1018 OH TYR A 94 2.100 12.888 -0.253 1.00 3.37 O ATOM 0 H TYR A 94 -3.109 9.400 4.128 1.00 0.44 H new ATOM 0 HA TYR A 94 -3.332 11.531 2.128 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -2.027 8.852 1.736 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.963 9.545 0.427 1.00 0.69 H new ATOM 0 HD1 TYR A 94 0.194 9.581 2.146 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -2.297 11.879 -0.432 1.00 1.19 H new ATOM 0 HE1 TYR A 94 2.136 10.914 1.460 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -0.357 13.223 -1.109 1.00 1.83 H new ATOM 0 HH TYR A 94 1.821 13.567 -0.902 1.00 3.37 H new ATOM 1028 N THR A 95 -5.390 10.247 1.117 1.00 0.46 N ATOM 1029 CA THR A 95 -6.740 9.784 0.876 1.00 0.46 C ATOM 1030 C THR A 95 -6.757 8.738 -0.239 1.00 0.47 C ATOM 1031 O THR A 95 -5.930 8.787 -1.148 1.00 0.60 O ATOM 1032 CB THR A 95 -7.524 10.802 0.560 1.00 0.59 C ATOM 1033 OG1 THR A 95 -7.311 11.863 1.504 1.00 1.40 O ATOM 1034 CG2 THR A 95 -9.000 10.425 0.551 1.00 1.09 C ATOM 0 H THR A 95 -5.017 10.855 0.388 1.00 0.46 H new ATOM 0 HA THR A 95 -7.115 9.322 1.789 1.00 0.46 H new ATOM 0 HB THR A 95 -7.265 11.118 -0.451 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.887 12.623 1.277 1.00 1.40 H new ATOM 0 HG21 THR A 95 -9.597 11.298 0.286 1.00 1.09 H new ATOM 0 HG22 THR A 95 -9.169 9.634 -0.180 1.00 1.09 H new ATOM 0 HG23 THR A 95 -9.292 10.073 1.541 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.631 7.750 -0.107 1.00 0.43 N ATOM 1043 CA PHE A 96 -7.840 6.750 -1.144 1.00 0.53 C ATOM 1044 C PHE A 96 -9.223 6.927 -1.747 1.00 0.62 C ATOM 1045 O PHE A 96 -10.234 6.637 -1.106 1.00 0.78 O ATOM 1046 CB PHE A 96 -7.687 5.338 -0.575 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.272 4.993 -0.207 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.260 5.071 -1.153 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -5.953 4.583 1.076 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -3.958 4.750 -0.823 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -4.651 4.260 1.411 1.00 1.18 C ATOM 1052 CZ PHE A 96 -3.653 4.345 0.461 1.00 1.03 C ATOM 0 H PHE A 96 -8.214 7.619 0.720 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.087 6.885 -1.920 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.318 5.240 0.308 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.050 4.618 -1.308 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.493 5.386 -2.159 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -6.730 4.515 1.823 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.179 4.816 -1.569 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -4.415 3.941 2.416 1.00 1.18 H new ATOM 0 HZ PHE A 96 -2.635 4.095 0.722 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.262 7.440 -2.964 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.521 7.696 -3.644 1.00 0.88 C ATOM 1064 C ASP A 97 -10.504 7.116 -5.050 1.00 0.95 C ATOM 1065 O ASP A 97 -9.770 7.588 -5.919 1.00 1.74 O ATOM 1066 CB ASP A 97 -10.803 9.201 -3.689 1.00 1.17 C ATOM 1067 CG ASP A 97 -11.909 9.570 -4.662 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -12.953 8.879 -4.662 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -11.744 10.545 -5.427 1.00 2.57 O ATOM 0 H ASP A 97 -8.433 7.689 -3.504 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.319 7.207 -3.085 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -11.076 9.544 -2.691 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -9.890 9.728 -3.968 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.306 6.077 -5.249 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.453 5.439 -6.551 1.00 1.30 C ATOM 1076 C TYR A 98 -12.519 4.352 -6.467 1.00 1.26 C ATOM 1077 O TYR A 98 -13.664 4.563 -6.858 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.123 4.843 -7.030 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.175 4.297 -8.439 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.237 2.930 -8.673 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -10.160 5.150 -9.533 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.282 2.428 -9.959 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -10.205 4.657 -10.822 1.00 2.79 C ATOM 1084 CZ TYR A 98 -10.279 3.293 -11.028 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.308 2.801 -12.312 1.00 3.21 O ATOM 0 H TYR A 98 -11.872 5.654 -4.513 1.00 1.21 H new ATOM 0 HA TYR A 98 -11.759 6.194 -7.275 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.350 5.610 -6.975 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.827 4.044 -6.351 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -10.250 2.248 -7.836 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -10.112 6.217 -9.374 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.319 1.361 -10.124 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -10.182 5.333 -11.664 1.00 2.79 H new ATOM 0 HH TYR A 98 -10.302 3.546 -12.948 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.138 3.204 -5.926 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.075 2.110 -5.718 1.00 1.70 C ATOM 1097 C GLN A 99 -13.530 2.103 -4.267 1.00 1.80 C ATOM 1098 O GLN A 99 -14.674 1.769 -3.958 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.462 0.765 -6.129 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.086 0.483 -5.545 1.00 2.28 C ATOM 1101 CD GLN A 99 -10.456 -0.755 -6.144 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -10.627 -1.868 -5.644 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -9.730 -0.569 -7.234 1.00 2.81 N ATOM 0 H GLN A 99 -11.185 3.006 -5.623 1.00 1.11 H new ATOM 0 HA GLN A 99 -13.947 2.262 -6.354 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -13.139 -0.034 -5.827 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.393 0.731 -7.216 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.436 1.340 -5.719 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -11.169 0.361 -4.465 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -9.614 0.370 -7.615 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -9.286 -1.364 -7.693 1.00 2.81 H new ATOM 1112 N MET A 100 -12.623 2.477 -3.378 1.00 1.50 N ATOM 1113 CA MET A 100 -13.000 2.830 -2.021 1.00 1.55 C ATOM 1114 C MET A 100 -13.480 4.269 -2.026 1.00 1.40 C ATOM 1115 O MET A 100 -12.893 5.110 -2.711 1.00 1.30 O ATOM 1116 CB MET A 100 -11.819 2.686 -1.051 1.00 1.54 C ATOM 1117 CG MET A 100 -12.189 2.988 0.397 1.00 1.64 C ATOM 1118 SD MET A 100 -10.793 2.865 1.533 1.00 2.37 S ATOM 1119 CE MET A 100 -10.430 1.114 1.434 1.00 2.85 C ATOM 0 H MET A 100 -11.624 2.543 -3.572 1.00 1.50 H new ATOM 0 HA MET A 100 -13.786 2.155 -1.683 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.427 1.671 -1.115 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.018 3.357 -1.362 1.00 1.54 H new ATOM 0 HG2 MET A 100 -12.608 3.993 0.455 1.00 1.64 H new ATOM 0 HG3 MET A 100 -12.970 2.298 0.716 1.00 1.64 H new ATOM 0 HE1 MET A 100 -9.781 0.830 2.262 1.00 2.85 H new ATOM 0 HE2 MET A 100 -11.359 0.546 1.490 1.00 2.85 H new ATOM 0 HE3 MET A 100 -9.929 0.899 0.490 1.00 2.85 H new ATOM 1129 N THR A 101 -14.556 4.548 -1.310 1.00 1.46 N ATOM 1130 CA THR A 101 -14.999 5.917 -1.151 1.00 1.40 C ATOM 1131 C THR A 101 -13.944 6.705 -0.385 1.00 1.14 C ATOM 1132 O THR A 101 -13.140 6.103 0.326 1.00 1.13 O ATOM 1133 CB THR A 101 -16.165 5.979 -0.544 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.216 5.024 0.532 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.297 5.723 -1.524 1.00 2.05 C ATOM 0 H THR A 101 -15.131 3.852 -0.836 1.00 1.46 H new ATOM 0 HA THR A 101 -15.129 6.358 -2.139 1.00 1.40 H new ATOM 0 HB THR A 101 -16.285 6.982 -0.134 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.087 5.080 0.978 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.251 5.779 -1.000 1.00 2.05 H new ATOM 0 HG22 THR A 101 -17.272 6.474 -2.314 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.182 4.732 -1.962 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.890 8.039 -0.567 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.802 8.878 -0.044 1.00 1.00 C ATOM 1145 C PRO A 102 -12.489 8.645 1.433 1.00 0.92 C ATOM 1146 O PRO A 102 -13.038 9.306 2.313 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.316 10.301 -0.259 1.00 1.32 C ATOM 1148 CG PRO A 102 -14.228 10.192 -1.425 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.881 8.844 -1.310 1.00 1.44 C ATOM 0 HA PRO A 102 -11.863 8.654 -0.551 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.840 10.672 0.622 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.498 10.993 -0.458 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.972 10.989 -1.415 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.678 10.281 -2.362 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.830 8.903 -0.777 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -15.091 8.416 -2.290 1.00 1.44 H new ATOM 1157 N THR A 103 -11.621 7.679 1.694 1.00 0.73 N ATOM 1158 CA THR A 103 -11.148 7.440 3.039 1.00 0.70 C ATOM 1159 C THR A 103 -9.741 8.002 3.203 1.00 0.58 C ATOM 1160 O THR A 103 -8.874 7.776 2.357 1.00 0.54 O ATOM 1161 CB THR A 103 -11.150 6.151 3.324 1.00 0.81 C ATOM 1162 OG1 THR A 103 -12.437 5.590 3.007 1.00 1.34 O ATOM 1163 CG2 THR A 103 -10.835 5.895 4.790 1.00 1.40 C ATOM 0 H THR A 103 -11.233 7.051 0.990 1.00 0.73 H new ATOM 0 HA THR A 103 -11.825 7.943 3.730 1.00 0.70 H new ATOM 0 HB THR A 103 -10.372 5.676 2.726 1.00 0.81 H new ATOM 0 HG1 THR A 103 -12.587 5.642 2.040 1.00 1.34 H new ATOM 0 HG21 THR A 103 -10.847 4.822 4.983 1.00 1.40 H new ATOM 0 HG22 THR A 103 -9.849 6.295 5.026 1.00 1.40 H new ATOM 0 HG23 THR A 103 -11.583 6.384 5.414 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.530 8.772 4.260 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.221 9.342 4.525 1.00 0.59 C ATOM 1173 C LYS A 104 -7.551 8.567 5.644 1.00 0.58 C ATOM 1174 O LYS A 104 -8.117 8.389 6.726 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.324 10.832 4.871 1.00 0.75 C ATOM 1176 CG LYS A 104 -9.203 11.138 6.073 1.00 1.45 C ATOM 1177 CD LYS A 104 -9.292 12.633 6.318 1.00 1.90 C ATOM 1178 CE LYS A 104 -10.097 12.949 7.566 1.00 2.46 C ATOM 1179 NZ LYS A 104 -9.428 12.454 8.798 1.00 3.08 N ATOM 0 H LYS A 104 -10.246 9.015 4.945 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.613 9.263 3.624 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -7.323 11.219 5.061 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -8.714 11.368 4.005 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -10.202 10.733 5.910 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -8.800 10.645 6.957 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -8.288 13.046 6.418 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -9.752 13.117 5.456 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -10.243 14.027 7.640 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -11.086 12.498 7.484 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -9.767 12.996 9.619 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -9.650 11.447 8.933 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -8.399 12.573 8.706 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.359 8.074 5.368 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.681 7.170 6.276 1.00 0.47 C ATOM 1195 C VAL A 105 -4.235 7.575 6.516 1.00 0.40 C ATOM 1196 O VAL A 105 -3.680 8.415 5.806 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.700 5.924 5.824 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -7.105 5.338 5.903 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.168 5.851 4.402 1.00 0.94 C ATOM 0 H VAL A 105 -5.838 8.286 4.517 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.226 7.228 7.218 1.00 0.47 H new ATOM 0 HB VAL A 105 -5.046 5.328 6.461 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -7.094 4.315 5.526 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.442 5.340 6.940 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.785 5.940 5.300 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.195 4.818 4.056 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.786 6.468 3.750 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -4.141 6.215 4.379 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.652 6.987 7.545 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.249 7.158 7.851 1.00 0.42 C ATOM 1211 C LYS A 106 -1.515 5.896 7.440 1.00 0.40 C ATOM 1212 O LYS A 106 -1.703 4.836 8.044 1.00 0.47 O ATOM 1213 CB LYS A 106 -2.054 7.419 9.347 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.599 7.610 9.759 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.445 7.627 11.274 1.00 0.83 C ATOM 1216 CE LYS A 106 -1.283 8.721 11.918 1.00 1.56 C ATOM 1217 NZ LYS A 106 -0.797 10.080 11.570 1.00 1.69 N ATOM 0 H LYS A 106 -4.145 6.374 8.194 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.854 8.016 7.307 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.620 8.308 9.627 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.473 6.584 9.909 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.007 6.807 9.340 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.222 8.544 9.343 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -0.739 6.659 11.679 1.00 0.83 H new ATOM 0 HD3 LYS A 106 0.604 7.775 11.530 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -2.320 8.616 11.600 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -1.267 8.598 13.001 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -1.604 10.734 11.517 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -0.132 10.408 12.299 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -0.314 10.051 10.650 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.700 5.998 6.412 1.00 0.37 N ATOM 1232 CA VAL A 107 -0.051 4.841 5.848 1.00 0.42 C ATOM 1233 C VAL A 107 1.406 4.820 6.267 1.00 0.40 C ATOM 1234 O VAL A 107 2.114 5.824 6.146 1.00 0.54 O ATOM 1235 CB VAL A 107 -0.144 4.834 4.526 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.520 3.598 3.929 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -1.591 4.925 4.077 1.00 1.27 C ATOM 0 H VAL A 107 -0.472 6.878 5.949 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.553 3.949 6.224 1.00 0.42 H new ATOM 0 HB VAL A 107 0.385 5.714 4.160 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.426 3.623 2.843 1.00 1.26 H new ATOM 0 HG12 VAL A 107 1.575 3.584 4.202 1.00 1.26 H new ATOM 0 HG13 VAL A 107 0.034 2.702 4.315 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -1.635 4.917 2.988 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -2.148 4.074 4.469 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -2.031 5.850 4.451 1.00 1.27 H new ATOM 1247 N HIS A 108 1.837 3.702 6.815 1.00 0.34 N ATOM 1248 CA HIS A 108 3.217 3.553 7.214 1.00 0.34 C ATOM 1249 C HIS A 108 3.939 2.671 6.215 1.00 0.32 C ATOM 1250 O HIS A 108 3.654 1.482 6.087 1.00 0.44 O ATOM 1251 CB HIS A 108 3.323 2.976 8.628 1.00 0.45 C ATOM 1252 CG HIS A 108 4.732 2.894 9.141 1.00 0.53 C ATOM 1253 ND1 HIS A 108 5.788 3.730 8.975 1.00 0.97 N flip ATOM 1254 CD2 HIS A 108 5.186 1.861 9.930 1.00 0.54 C flip ATOM 1255 CE1 HIS A 108 6.847 3.185 9.659 1.00 1.02 C flip ATOM 1256 NE2 HIS A 108 6.457 2.060 10.226 1.00 0.68 N flip ATOM 0 H HIS A 108 1.251 2.886 6.993 1.00 0.34 H new ATOM 0 HA HIS A 108 3.688 4.536 7.227 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.733 3.591 9.307 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.883 1.979 8.638 1.00 0.45 H new ATOM 0 HD2 HIS A 108 4.594 1.019 10.256 1.00 0.54 H new ATOM 0 HE1 HIS A 108 7.838 3.609 9.722 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.039 1.447 10.797 1.00 0.68 H new ATOM 1265 N MET A 109 4.866 3.285 5.516 1.00 0.30 N ATOM 1266 CA MET A 109 5.680 2.617 4.514 1.00 0.39 C ATOM 1267 C MET A 109 7.042 2.313 5.114 1.00 0.34 C ATOM 1268 O MET A 109 7.704 3.216 5.607 1.00 0.45 O ATOM 1269 CB MET A 109 5.836 3.562 3.317 1.00 0.65 C ATOM 1270 CG MET A 109 6.748 3.065 2.207 1.00 0.87 C ATOM 1271 SD MET A 109 5.917 1.934 1.086 1.00 2.22 S ATOM 1272 CE MET A 109 4.559 2.970 0.537 1.00 2.49 C ATOM 0 H MET A 109 5.082 4.276 5.625 1.00 0.30 H new ATOM 0 HA MET A 109 5.214 1.686 4.191 1.00 0.39 H new ATOM 0 HB2 MET A 109 4.849 3.752 2.895 1.00 0.65 H new ATOM 0 HB3 MET A 109 6.218 4.517 3.677 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.126 3.918 1.643 1.00 0.87 H new ATOM 0 HG3 MET A 109 7.611 2.566 2.647 1.00 0.87 H new ATOM 0 HE1 MET A 109 4.068 2.504 -0.318 1.00 2.49 H new ATOM 0 HE2 MET A 109 3.840 3.088 1.348 1.00 2.49 H new ATOM 0 HE3 MET A 109 4.942 3.948 0.247 1.00 2.49 H new ATOM 1282 N LYS A 110 7.456 1.053 5.111 1.00 0.32 N ATOM 1283 CA LYS A 110 8.738 0.701 5.720 1.00 0.35 C ATOM 1284 C LYS A 110 9.365 -0.506 5.041 1.00 0.32 C ATOM 1285 O LYS A 110 8.671 -1.405 4.600 1.00 0.45 O ATOM 1286 CB LYS A 110 8.580 0.430 7.219 1.00 0.50 C ATOM 1287 CG LYS A 110 7.797 -0.830 7.538 1.00 0.97 C ATOM 1288 CD LYS A 110 7.794 -1.117 9.023 1.00 0.91 C ATOM 1289 CE LYS A 110 7.130 -2.448 9.325 1.00 1.31 C ATOM 1290 NZ LYS A 110 7.221 -2.802 10.764 1.00 1.57 N ATOM 0 H LYS A 110 6.940 0.272 4.705 1.00 0.32 H new ATOM 0 HA LYS A 110 9.402 1.555 5.585 1.00 0.35 H new ATOM 0 HB2 LYS A 110 9.569 0.355 7.671 1.00 0.50 H new ATOM 0 HB3 LYS A 110 8.082 1.282 7.682 1.00 0.50 H new ATOM 0 HG2 LYS A 110 6.771 -0.722 7.185 1.00 0.97 H new ATOM 0 HG3 LYS A 110 8.231 -1.675 7.003 1.00 0.97 H new ATOM 0 HD2 LYS A 110 8.818 -1.126 9.396 1.00 0.91 H new ATOM 0 HD3 LYS A 110 7.270 -0.319 9.549 1.00 0.91 H new ATOM 0 HE2 LYS A 110 6.082 -2.406 9.028 1.00 1.31 H new ATOM 0 HE3 LYS A 110 7.599 -3.231 8.729 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 6.755 -3.718 10.926 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 8.221 -2.868 11.043 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 6.751 -2.069 11.332 1.00 1.57 H new ATOM 1304 N LYS A 111 10.684 -0.520 4.984 1.00 0.37 N ATOM 1305 CA LYS A 111 11.423 -1.565 4.289 1.00 0.38 C ATOM 1306 C LYS A 111 11.686 -2.747 5.221 1.00 0.43 C ATOM 1307 O LYS A 111 11.975 -2.556 6.403 1.00 0.60 O ATOM 1308 CB LYS A 111 12.749 -0.977 3.792 1.00 0.49 C ATOM 1309 CG LYS A 111 13.387 -1.721 2.634 1.00 0.56 C ATOM 1310 CD LYS A 111 14.682 -1.045 2.203 1.00 1.03 C ATOM 1311 CE LYS A 111 15.248 -1.650 0.927 1.00 1.49 C ATOM 1312 NZ LYS A 111 15.767 -3.028 1.132 1.00 2.13 N ATOM 0 H LYS A 111 11.275 0.190 5.416 1.00 0.37 H new ATOM 0 HA LYS A 111 10.837 -1.927 3.444 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.580 0.057 3.491 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.454 -0.956 4.623 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.589 -2.752 2.926 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.694 -1.758 1.794 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.501 0.019 2.050 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.418 -1.131 3.002 1.00 1.03 H new ATOM 0 HE2 LYS A 111 14.472 -1.668 0.162 1.00 1.49 H new ATOM 0 HE3 LYS A 111 16.051 -1.015 0.552 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 16.141 -3.395 0.234 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 16.526 -3.011 1.842 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 14.997 -3.643 1.464 1.00 2.13 H new ATOM 1326 N ALA A 112 11.571 -3.960 4.694 1.00 0.44 N ATOM 1327 CA ALA A 112 11.841 -5.160 5.471 1.00 0.59 C ATOM 1328 C ALA A 112 12.330 -6.281 4.565 1.00 0.92 C ATOM 1329 O ALA A 112 12.562 -6.069 3.375 1.00 1.57 O ATOM 1330 CB ALA A 112 10.598 -5.593 6.235 1.00 0.96 C ATOM 0 H ALA A 112 11.292 -4.137 3.729 1.00 0.44 H new ATOM 0 HA ALA A 112 12.625 -4.934 6.193 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.819 -6.492 6.810 1.00 0.96 H new ATOM 0 HB2 ALA A 112 10.291 -4.796 6.912 1.00 0.96 H new ATOM 0 HB3 ALA A 112 9.793 -5.802 5.531 1.00 0.96 H new ATOM 1336 N LEU A 113 12.473 -7.471 5.120 1.00 1.01 N ATOM 1337 CA LEU A 113 12.963 -8.610 4.361 1.00 1.49 C ATOM 1338 C LEU A 113 11.844 -9.629 4.158 1.00 1.26 C ATOM 1339 O LEU A 113 10.675 -9.320 4.399 1.00 2.05 O ATOM 1340 CB LEU A 113 14.173 -9.256 5.059 1.00 2.52 C ATOM 1341 CG LEU A 113 13.937 -9.771 6.484 1.00 3.38 C ATOM 1342 CD1 LEU A 113 14.784 -11.005 6.742 1.00 3.91 C ATOM 1343 CD2 LEU A 113 14.274 -8.697 7.509 1.00 4.41 C ATOM 0 H LEU A 113 12.257 -7.675 6.096 1.00 1.01 H new ATOM 0 HA LEU A 113 13.292 -8.258 3.383 1.00 1.49 H new ATOM 0 HB2 LEU A 113 14.517 -10.089 4.446 1.00 2.52 H new ATOM 0 HB3 LEU A 113 14.982 -8.526 5.088 1.00 2.52 H new ATOM 0 HG LEU A 113 12.883 -10.030 6.581 1.00 3.38 H new ATOM 0 HD11 LEU A 113 14.608 -11.361 7.757 1.00 3.91 H new ATOM 0 HD12 LEU A 113 14.515 -11.786 6.031 1.00 3.91 H new ATOM 0 HD13 LEU A 113 15.838 -10.754 6.623 1.00 3.91 H new ATOM 0 HD21 LEU A 113 14.099 -9.084 8.513 1.00 4.41 H new ATOM 0 HD22 LEU A 113 15.321 -8.413 7.407 1.00 4.41 H new ATOM 0 HD23 LEU A 113 13.643 -7.824 7.342 1.00 4.41 H new ATOM 1355 N SER A 114 12.216 -10.825 3.693 1.00 1.21 N ATOM 1356 CA SER A 114 11.274 -11.909 3.413 1.00 1.56 C ATOM 1357 C SER A 114 10.515 -11.623 2.122 1.00 1.72 C ATOM 1358 O SER A 114 9.335 -11.262 2.139 1.00 2.36 O ATOM 1359 CB SER A 114 10.304 -12.129 4.580 1.00 2.13 C ATOM 1360 OG SER A 114 11.005 -12.278 5.802 1.00 2.55 O ATOM 0 H SER A 114 13.187 -11.069 3.499 1.00 1.21 H new ATOM 0 HA SER A 114 11.845 -12.829 3.289 1.00 1.56 H new ATOM 0 HB2 SER A 114 9.618 -11.285 4.651 1.00 2.13 H new ATOM 0 HB3 SER A 114 9.700 -13.017 4.393 1.00 2.13 H new ATOM 0 HG SER A 114 10.365 -12.415 6.532 1.00 2.55 H new ATOM 1366 N GLY A 115 11.215 -11.761 1.004 1.00 1.73 N ATOM 1367 CA GLY A 115 10.624 -11.463 -0.284 1.00 2.05 C ATOM 1368 C GLY A 115 11.144 -10.155 -0.831 1.00 1.87 C ATOM 1369 O GLY A 115 10.883 -9.805 -1.983 1.00 2.62 O ATOM 0 H GLY A 115 12.185 -12.075 0.967 1.00 1.73 H new ATOM 0 HA2 GLY A 115 10.846 -12.268 -0.985 1.00 2.05 H new ATOM 0 HA3 GLY A 115 9.539 -11.415 -0.188 1.00 2.05 H new ATOM 1373 N ASP A 116 11.887 -9.446 0.016 1.00 1.38 N ATOM 1374 CA ASP A 116 12.469 -8.147 -0.321 1.00 1.29 C ATOM 1375 C ASP A 116 11.400 -7.172 -0.795 1.00 1.01 C ATOM 1376 O ASP A 116 11.203 -6.962 -1.994 1.00 1.32 O ATOM 1377 CB ASP A 116 13.578 -8.285 -1.365 1.00 1.58 C ATOM 1378 CG ASP A 116 14.714 -9.160 -0.882 1.00 2.09 C ATOM 1379 OD1 ASP A 116 15.194 -10.003 -1.667 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.118 -9.027 0.294 1.00 2.42 O ATOM 0 H ASP A 116 12.104 -9.758 0.962 1.00 1.38 H new ATOM 0 HA ASP A 116 12.915 -7.745 0.588 1.00 1.29 H new ATOM 0 HB2 ASP A 116 13.162 -8.706 -2.281 1.00 1.58 H new ATOM 0 HB3 ASP A 116 13.964 -7.297 -1.615 1.00 1.58 H new ATOM 1385 N SER A 117 10.712 -6.588 0.167 1.00 0.60 N ATOM 1386 CA SER A 117 9.624 -5.675 -0.091 1.00 0.36 C ATOM 1387 C SER A 117 9.441 -4.763 1.119 1.00 0.34 C ATOM 1388 O SER A 117 10.287 -4.750 2.018 1.00 0.54 O ATOM 1389 CB SER A 117 8.345 -6.460 -0.404 1.00 0.35 C ATOM 1390 OG SER A 117 8.252 -7.619 0.406 1.00 1.07 O ATOM 0 H SER A 117 10.897 -6.738 1.159 1.00 0.60 H new ATOM 0 HA SER A 117 9.851 -5.056 -0.959 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.474 -5.825 -0.239 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.337 -6.745 -1.456 1.00 0.35 H new ATOM 0 HG SER A 117 8.222 -8.415 -0.165 1.00 1.07 H new ATOM 1396 N TYR A 118 8.363 -3.999 1.153 1.00 0.22 N ATOM 1397 CA TYR A 118 8.137 -3.069 2.221 1.00 0.24 C ATOM 1398 C TYR A 118 6.850 -3.448 2.917 1.00 0.24 C ATOM 1399 O TYR A 118 5.951 -4.027 2.303 1.00 0.26 O ATOM 1400 CB TYR A 118 8.037 -1.648 1.658 1.00 0.30 C ATOM 1401 CG TYR A 118 9.011 -1.390 0.534 1.00 0.32 C ATOM 1402 CD1 TYR A 118 8.557 -1.189 -0.758 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.379 -1.381 0.760 1.00 0.57 C ATOM 1404 CE1 TYR A 118 9.441 -0.986 -1.799 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.270 -1.171 -0.273 1.00 0.72 C ATOM 1406 CZ TYR A 118 10.796 -0.978 -1.552 1.00 0.67 C ATOM 1407 OH TYR A 118 11.682 -0.784 -2.588 1.00 0.86 O ATOM 0 H TYR A 118 7.631 -4.013 0.443 1.00 0.22 H new ATOM 0 HA TYR A 118 8.964 -3.100 2.931 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.022 -1.476 1.299 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.217 -0.932 2.460 1.00 0.30 H new ATOM 0 HD1 TYR A 118 7.495 -1.191 -0.955 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.753 -1.541 1.760 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.072 -0.834 -2.802 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.332 -1.158 -0.080 1.00 0.72 H new ATOM 0 HH TYR A 118 12.599 -0.806 -2.243 1.00 0.86 H new ATOM 1417 N TRP A 119 6.754 -3.116 4.176 1.00 0.27 N ATOM 1418 CA TRP A 119 5.560 -3.388 4.925 1.00 0.30 C ATOM 1419 C TRP A 119 4.753 -2.120 5.047 1.00 0.33 C ATOM 1420 O TRP A 119 5.120 -1.187 5.766 1.00 0.38 O ATOM 1421 CB TRP A 119 5.897 -3.957 6.299 1.00 0.36 C ATOM 1422 CG TRP A 119 6.095 -5.439 6.282 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.276 -6.114 6.370 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.072 -6.432 6.158 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.050 -7.466 6.316 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.703 -7.687 6.184 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.681 -6.376 6.030 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 4.991 -8.878 6.089 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 2.976 -7.559 5.934 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.630 -8.795 5.963 1.00 0.62 C ATOM 0 H TRP A 119 7.493 -2.654 4.706 1.00 0.27 H new ATOM 0 HA TRP A 119 4.969 -4.138 4.400 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.802 -3.479 6.673 1.00 0.36 H new ATOM 0 HB3 TRP A 119 5.096 -3.710 6.995 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.247 -5.652 6.468 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.767 -8.189 6.366 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.168 -5.426 6.007 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.493 -9.834 6.114 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 1.901 -7.530 5.835 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.050 -9.702 5.884 1.00 0.62 H new ATOM 1441 N VAL A 120 3.678 -2.084 4.287 1.00 0.33 N ATOM 1442 CA VAL A 120 2.806 -0.938 4.243 1.00 0.37 C ATOM 1443 C VAL A 120 1.536 -1.193 5.068 1.00 0.40 C ATOM 1444 O VAL A 120 0.632 -1.926 4.661 1.00 0.55 O ATOM 1445 CB VAL A 120 2.531 -0.660 2.974 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.359 0.311 2.833 1.00 0.90 C ATOM 1447 CG2 VAL A 120 3.760 -0.089 2.302 1.00 0.91 C ATOM 0 H VAL A 120 3.387 -2.852 3.683 1.00 0.33 H new ATOM 0 HA VAL A 120 3.299 -0.074 4.689 1.00 0.37 H new ATOM 0 HB VAL A 120 2.238 -1.591 2.488 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.174 0.507 1.777 1.00 0.90 H new ATOM 0 HG12 VAL A 120 0.468 -0.127 3.283 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.599 1.246 3.339 1.00 0.90 H new ATOM 0 HG21 VAL A 120 3.533 0.139 1.261 1.00 0.91 H new ATOM 0 HG22 VAL A 120 4.064 0.823 2.815 1.00 0.91 H new ATOM 0 HG23 VAL A 120 4.570 -0.817 2.346 1.00 0.91 H new ATOM 1457 N PHE A 121 1.495 -0.579 6.245 1.00 0.39 N ATOM 1458 CA PHE A 121 0.368 -0.715 7.163 1.00 0.41 C ATOM 1459 C PHE A 121 -0.485 0.548 7.142 1.00 0.41 C ATOM 1460 O PHE A 121 0.040 1.661 7.205 1.00 0.49 O ATOM 1461 CB PHE A 121 0.857 -0.970 8.594 1.00 0.48 C ATOM 1462 CG PHE A 121 1.620 -2.253 8.768 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.000 -2.270 8.666 1.00 0.56 C ATOM 1464 CD2 PHE A 121 0.957 -3.441 9.024 1.00 0.69 C ATOM 1465 CE1 PHE A 121 3.707 -3.446 8.815 1.00 0.65 C ATOM 1466 CE2 PHE A 121 1.658 -4.622 9.175 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.027 -4.623 9.114 1.00 0.73 C ATOM 0 H PHE A 121 2.240 0.026 6.590 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.230 -1.566 6.836 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.492 -0.139 8.902 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.003 -0.979 9.263 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.531 -1.351 8.467 1.00 0.56 H new ATOM 0 HD2 PHE A 121 -0.120 -3.445 9.107 1.00 0.69 H new ATOM 0 HE1 PHE A 121 4.781 -3.453 8.700 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.126 -5.547 9.342 1.00 0.79 H new ATOM 0 HZ PHE A 121 3.577 -5.534 9.297 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.793 0.377 7.063 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.706 1.508 6.970 1.00 0.51 C ATOM 1479 C VAL A 122 -3.574 1.609 8.230 1.00 0.54 C ATOM 1480 O VAL A 122 -3.893 0.595 8.849 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.492 1.401 5.899 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -4.319 2.661 5.683 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -2.691 1.080 4.645 1.00 1.16 C ATOM 0 H VAL A 122 -2.250 -0.535 7.061 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.102 2.411 6.876 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.173 0.572 6.092 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -4.947 2.537 4.801 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -4.948 2.837 6.555 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -3.654 3.512 5.538 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -3.366 1.000 3.793 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -1.967 1.874 4.462 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -2.165 0.135 4.781 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.887 2.836 8.644 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.823 3.068 9.741 1.00 0.66 C ATOM 1495 C LYS A 123 -5.727 4.253 9.409 1.00 0.55 C ATOM 1496 O LYS A 123 -5.292 5.206 8.770 1.00 0.51 O ATOM 1497 CB LYS A 123 -4.086 3.318 11.060 1.00 0.93 C ATOM 1498 CG LYS A 123 -3.153 4.515 11.032 1.00 1.36 C ATOM 1499 CD LYS A 123 -2.727 4.922 12.434 1.00 1.80 C ATOM 1500 CE LYS A 123 -1.975 3.811 13.144 1.00 2.62 C ATOM 1501 NZ LYS A 123 -1.672 4.167 14.556 1.00 3.31 N ATOM 0 H LYS A 123 -3.504 3.688 8.234 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.431 2.172 9.864 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -4.820 3.462 11.852 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.511 2.428 11.316 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -2.271 4.277 10.437 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -3.650 5.353 10.544 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -2.096 5.809 12.378 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -3.608 5.194 13.016 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -2.567 2.896 13.118 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -1.046 3.604 12.613 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -1.158 3.384 15.009 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -1.086 5.026 14.579 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -2.560 4.340 15.069 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.977 4.186 9.842 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.969 5.203 9.500 1.00 0.76 C ATOM 1517 C ARG A 124 -7.876 6.388 10.459 1.00 0.85 C ATOM 1518 O ARG A 124 -8.192 6.262 11.642 1.00 0.96 O ATOM 1519 CB ARG A 124 -9.368 4.580 9.555 1.00 1.03 C ATOM 1520 CG ARG A 124 -10.359 5.138 8.540 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.740 6.584 8.819 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.847 7.010 7.965 1.00 2.55 N ATOM 1523 CZ ARG A 124 -12.208 8.279 7.773 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -11.535 9.271 8.340 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -13.239 8.555 6.986 1.00 4.03 N ATOM 0 H ARG A 124 -7.333 3.435 10.434 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.775 5.570 8.492 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.278 3.505 9.400 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -9.775 4.724 10.556 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.928 5.067 7.542 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -11.259 4.523 8.543 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.021 6.694 9.866 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -9.878 7.229 8.651 1.00 2.10 H new ATOM 0 HE ARG A 124 -12.380 6.287 7.483 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -10.730 9.068 8.932 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -11.823 10.237 8.184 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -13.751 7.799 6.532 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -13.520 9.524 6.835 1.00 4.03 H new ATOM 1539 N VAL A 125 -7.440 7.531 9.950 1.00 1.06 N ATOM 1540 CA VAL A 125 -7.291 8.720 10.776 1.00 1.33 C ATOM 1541 C VAL A 125 -8.159 9.862 10.254 1.00 2.00 C ATOM 1542 O VAL A 125 -7.801 11.037 10.480 1.00 2.87 O ATOM 1543 CB VAL A 125 -6.028 9.123 10.840 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -5.186 8.132 11.635 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -5.438 9.338 9.454 1.00 2.08 C ATOM 1546 OXT VAL A 125 -9.191 9.581 9.606 1.00 2.26 O ATOM 0 H VAL A 125 -7.184 7.660 8.971 1.00 1.06 H new ATOM 0 HA VAL A 125 -7.618 8.446 11.779 1.00 1.33 H new ATOM 0 HB VAL A 125 -6.015 10.083 11.357 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -4.154 8.481 11.675 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -5.581 8.049 12.648 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -5.220 7.156 11.151 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -4.403 9.667 9.546 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -5.473 8.403 8.895 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -6.015 10.098 8.927 1.00 2.08 H new